A discrete Boltzmann model(DBM) with symmetric velocity discretization is constructed for compressible systems with an adjustable specific heat ratio in the external force field. The proposed two-dimensional(2D) nine-...A discrete Boltzmann model(DBM) with symmetric velocity discretization is constructed for compressible systems with an adjustable specific heat ratio in the external force field. The proposed two-dimensional(2D) nine-velocity scheme has better spatial symmetry and numerical accuracy than the discretized velocity model in literature [Acta Aerodyn. Sin.40 98108(2022)] and owns higher computational efficiency than the one in literature [Phys. Rev. E 99 012142(2019)].In addition, the matrix inversion method is adopted to calculate the discrete equilibrium distribution function and force term, both of which satisfy nine independent kinetic moment relations. Moreover, the DBM could be used to study a few thermodynamic nonequilibrium effects beyond the Euler equations that are recovered from the kinetic model in the hydrodynamic limit via the Chapman–Enskog expansion. Finally, the present method is verified through typical numerical simulations, including the free-falling process, Sod’s shock tube, sound wave, compressible Rayleigh–Taylor instability,and translational motion of a 2D fluid system.展开更多
Miniaturization of efficient thermoelectric(TE)devices has long been hindered by the weak mechanical strength and insufficient heat-to-electricity conversion efficiency of zone-melted(ZM)ingots.Here,we successfully pr...Miniaturization of efficient thermoelectric(TE)devices has long been hindered by the weak mechanical strength and insufficient heat-to-electricity conversion efficiency of zone-melted(ZM)ingots.Here,we successfully prepared a robust high-performance p-type Bi_(0.4)Sb_(1.6)Te_(3.72)bulk alloy by combining an ultrafast thermal explosion reaction with the spark plasma sintering(TER-SPS)process.It is observed that the introduced excess Te not only enhances the(00l)-oriented texture to ensure an outstanding power factor(PF)of 5 mW m^(−1)K^(−2),but also induces extremely high-density line defects of up to 10^(11)–10^(12)cm^(−2).Benefiting from such heavily dense line defects,the enhancement of the electronic thermal conductance from the increased electron mobility is fully compensated by the stronger phonon scattering,leading to an evident net reduction in total thermal conductivity.As a result,a superior ZT value of~1.4 at 350 K is achieved,which is 40%higher than that of commercial ZM ingots.Moreover,owing to the strengthening of grain refinement and highdensity line defects,the mechanical compressive stress reaches up to 94 MPa,which is 154%more than that of commercial single crystals.This research presents an effective strategy for the collaborative optimization of the texture,TE performance,and mechanical strength of Bi2Te3-based materials.As such,the present study contributes significantly to the future commercial development of miniature TE devices.展开更多
In this paper,unsteady detonation is simulated and investigated from the viewpoint of kinetic theory.The deviations of the velocity distribution function from the equilibrium state are studied in the evolution of deto...In this paper,unsteady detonation is simulated and investigated from the viewpoint of kinetic theory.The deviations of the velocity distribution function from the equilibrium state are studied in the evolution of detonation.It has been discovered that the characteristics of the deviation around the detonation wave are significantly different from those in the post-wave region.Besides,the kinetic moments of the reaction term have been simulated,verified and analyzed in detail.In addition,the reaction manifestation is defined to describe the global effects of kinetic moments due to chemical reactions.It is interesting to find that there are three types of periodic oscillations of the reaction manifestation during the evolution of the unsteady detonation.Via the fast Fourier transform,it can be seen that the reaction manifestation is mainly composed of several signal frequencies.Moreover,the impact of rate constants of the two-step reaction scheme on the reaction manifestation is studied,and the influence of chemical heat is investigated as well.展开更多
Thermoelectric semiconductors based on CoSb_(3)hold the best promise for recovering industrial or automotive waste heat because of their high efficiency and relatively abundant,lead-free constituent elements.However,h...Thermoelectric semiconductors based on CoSb_(3)hold the best promise for recovering industrial or automotive waste heat because of their high efficiency and relatively abundant,lead-free constituent elements.However,higher efficiency is needed before thermoelectrics reach economic viability for widespread use.In this study,n-type In_(x)Ce_(y)Co_(4)Sb_(12+z)skutterudites with high thermoelectric performance are produced by combining several phonon scattering mechanisms in a panoscopic synthesis.Using melt spinning followed by spark plasma sintering(MS-SPS),bulk In_(x)Ce_(y)Co_(4)Sb_(12+z)alloys are formed with grain boundaries decorated with nano-phase of InSb.The skutterudite matrix has grains on a scale of 100-200 nm and the InSb nano-phase with a typical size of 5e15 nm is evenly dispersed at the grain boundaries of the skutterudite matrix.Coupled with the presence of defects on the Sb sublattice,this multi-scale nanometer structure is exceptionally effective in scattering phonons and,therefore,InxCey-Co_(4)Sb_(12)/InSb nano-composites have very low lattice thermal conductivity and high zT values reaching in excess of 1.5 at 800 K.展开更多
Pristine GeTe shows inferior thermoelectric performance around unit due to the large carrier concentration induced by the presence of intrinsic high concentration of Ge vacancy. In this study, we report a thermoelectr...Pristine GeTe shows inferior thermoelectric performance around unit due to the large carrier concentration induced by the presence of intrinsic high concentration of Ge vacancy. In this study, we report a thermoelectric figure of merit ZT of 1.56 at 700 K, realized in Sb-doped GeTe based thermoelectric(TE)materials via combined effect of suppression of intrinsic Ge vacancy and Sb doping. The nonequilibrium nature during melt spinning process plays very important role. For one thing, it promotes the homogeneity in Ge_(1-x)Sb_xTe samples and refines the grain size of the product. Moreover the persistent Ge precipitated as impurity phase in the traditional synthesis process is found to be dissolved back into the GeTe sublattice, accompanying with a drastic suppression of Ge vacancies concentration which in combination with Sb electron doping significantly reduced the inherent carrier concentration in GeTe.Low carrier concentration, approaching the optimum carrier concentration ～3.74 × 10^(-20) cm^(-3) and a high power factor of 4.01 × 10^(-3) W m^(-1)K^(-2) at 750 K are achieved for Ge_(0.98)Sb_(0.02) Te sample. In addition,the enhanced grain boundary phonon scattering by refining the grain size through melt spinning(MS)process, coupled with the intensified alloying phonon scattering via Sb doping leads to low thermal conductivity of 1.53 W m^(-1) K^(-1) at 700 K for Ge_(0.94) Sb_(0.06) Te sample. All those contribute to a high ZT value,representing over 50% improvement in the ZT value compared to the Sb free samples, which provides an alternative way for ultrafast synthesis of high performance GeTe based thermoelectric material.展开更多
How to accurately probe chemically reactive fiows with essential thermodynamic nonequilibrium effects is an open issue.Via the Chapman–Enskog analysis,the local nonequilibrium particle velocity distribution function ...How to accurately probe chemically reactive fiows with essential thermodynamic nonequilibrium effects is an open issue.Via the Chapman–Enskog analysis,the local nonequilibrium particle velocity distribution function is derived from the gas kinetic theory.It is demonstrated theoretically and numerically that the distribution function depends on the physical quantities and derivatives,and is independent of the chemical reactions directly as the chemical time scale is longer than the molecular relaxation time.Based on the simulation results of the discrete Boltzmann model,the departure between equilibrium and nonequilibrium distribution functions is obtained and analyzed around the detonation wave.In addition,it has been verified for the first time that the kinetic moments calculated by summations of the discrete distribution functions are close to those calculated by integrals of their original forms.展开更多
Although traditional ferroelectric materials are usually dielectric and nonconductive,GeTe is a typical ferroelectric semiconductor,possessing both ferroelectric and semiconducting properties.GeTe is also a widely stu...Although traditional ferroelectric materials are usually dielectric and nonconductive,GeTe is a typical ferroelectric semiconductor,possessing both ferroelectric and semiconducting properties.GeTe is also a widely studied thermoelectric material,whose performance has been optimized by doping with various elements.However,the impact of the ferroelectric domains on the thermoelectric properties remains unclear due to the difficulty to directly observe the ferroelectric domains and their evolutions under actual working conditions where the material is exposed to high temperatures and electric currents.Herein,based on in-situ investigations of the ferroelectric domains and domain walls in both pure and Sb-doped GeTe crystals,we have been able to analyze the dynamic evolution of the ferroelectric domains and domain walls,exposed to an electric field and temperature.Local structural heterogeneities and nano-sized ferroelectric domains are generated due to the interplay of the Sb^(3+)dopant and the Ge-vacancies,leading to the increased number of charged domain walls and a much improved thermoelectric performance.This work reveals the fundamental mechanism of ferroelectric thermoelectrics and provides insights into the decoupling of previously interdependent properties such as thermo-power and electrical conductivity.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 51806116, U2242214, and 11875329)Guangdong Basic and Applied Basic Research Foundation (Grant No. 2022A1515012116)the Natural Science Foundation of Fujian Province, China (Grant Nos. 2021J01652 and 2021J01655)。
文摘A discrete Boltzmann model(DBM) with symmetric velocity discretization is constructed for compressible systems with an adjustable specific heat ratio in the external force field. The proposed two-dimensional(2D) nine-velocity scheme has better spatial symmetry and numerical accuracy than the discretized velocity model in literature [Acta Aerodyn. Sin.40 98108(2022)] and owns higher computational efficiency than the one in literature [Phys. Rev. E 99 012142(2019)].In addition, the matrix inversion method is adopted to calculate the discrete equilibrium distribution function and force term, both of which satisfy nine independent kinetic moment relations. Moreover, the DBM could be used to study a few thermodynamic nonequilibrium effects beyond the Euler equations that are recovered from the kinetic model in the hydrodynamic limit via the Chapman–Enskog expansion. Finally, the present method is verified through typical numerical simulations, including the free-falling process, Sod’s shock tube, sound wave, compressible Rayleigh–Taylor instability,and translational motion of a 2D fluid system.
基金financially supported by the National Key Research and Development Program of China (2018YFB0703600)the National Natural Science Foundation of China (51772232)+1 种基金the 111 Project of China (B07040)Wuhan Frontier Project on Applied Research Foundation (2019010701011405)
文摘Miniaturization of efficient thermoelectric(TE)devices has long been hindered by the weak mechanical strength and insufficient heat-to-electricity conversion efficiency of zone-melted(ZM)ingots.Here,we successfully prepared a robust high-performance p-type Bi_(0.4)Sb_(1.6)Te_(3.72)bulk alloy by combining an ultrafast thermal explosion reaction with the spark plasma sintering(TER-SPS)process.It is observed that the introduced excess Te not only enhances the(00l)-oriented texture to ensure an outstanding power factor(PF)of 5 mW m^(−1)K^(−2),but also induces extremely high-density line defects of up to 10^(11)–10^(12)cm^(−2).Benefiting from such heavily dense line defects,the enhancement of the electronic thermal conductance from the increased electron mobility is fully compensated by the stronger phonon scattering,leading to an evident net reduction in total thermal conductivity.As a result,a superior ZT value of~1.4 at 350 K is achieved,which is 40%higher than that of commercial ZM ingots.Moreover,owing to the strengthening of grain refinement and highdensity line defects,the mechanical compressive stress reaches up to 94 MPa,which is 154%more than that of commercial single crystals.This research presents an effective strategy for the collaborative optimization of the texture,TE performance,and mechanical strength of Bi2Te3-based materials.As such,the present study contributes significantly to the future commercial development of miniature TE devices.
基金supported by the National Natural Science Foundation of China(under Grant No.51806116)Guangdong Basic and Applied Basic Research Foundation(under Grant No.2022A1515012116)。
文摘In this paper,unsteady detonation is simulated and investigated from the viewpoint of kinetic theory.The deviations of the velocity distribution function from the equilibrium state are studied in the evolution of detonation.It has been discovered that the characteristics of the deviation around the detonation wave are significantly different from those in the post-wave region.Besides,the kinetic moments of the reaction term have been simulated,verified and analyzed in detail.In addition,the reaction manifestation is defined to describe the global effects of kinetic moments due to chemical reactions.It is interesting to find that there are three types of periodic oscillations of the reaction manifestation during the evolution of the unsteady detonation.Via the fast Fourier transform,it can be seen that the reaction manifestation is mainly composed of several signal frequencies.Moreover,the impact of rate constants of the two-step reaction scheme on the reaction manifestation is studied,and the influence of chemical heat is investigated as well.
基金H.L.,X.T.,and Q.Z.acknowledge financial supports of the National Basic Research Program of China(Grant No.2013CB632502)Natural Science Foundation of China(Grant Nos.51402222,51172174,and 51002112)the 111 Project of China(Grant No.B07040).U.A.and G.J.S.acknowledge funding from the Solid-State Solar-Thermal Energy Conversion Center(S3TEC),an Energy Frontier Research Center,funded by the U.S.Department of Energy,Office of Science,Basic Energy Sciences(DE-SC0001299).
文摘Thermoelectric semiconductors based on CoSb_(3)hold the best promise for recovering industrial or automotive waste heat because of their high efficiency and relatively abundant,lead-free constituent elements.However,higher efficiency is needed before thermoelectrics reach economic viability for widespread use.In this study,n-type In_(x)Ce_(y)Co_(4)Sb_(12+z)skutterudites with high thermoelectric performance are produced by combining several phonon scattering mechanisms in a panoscopic synthesis.Using melt spinning followed by spark plasma sintering(MS-SPS),bulk In_(x)Ce_(y)Co_(4)Sb_(12+z)alloys are formed with grain boundaries decorated with nano-phase of InSb.The skutterudite matrix has grains on a scale of 100-200 nm and the InSb nano-phase with a typical size of 5e15 nm is evenly dispersed at the grain boundaries of the skutterudite matrix.Coupled with the presence of defects on the Sb sublattice,this multi-scale nanometer structure is exceptionally effective in scattering phonons and,therefore,InxCey-Co_(4)Sb_(12)/InSb nano-composites have very low lattice thermal conductivity and high zT values reaching in excess of 1.5 at 800 K.
基金supported by the National Natural Science Foundation of China(51402222,51521001,and 51632006)the 111 Project of China(B07040)
文摘Pristine GeTe shows inferior thermoelectric performance around unit due to the large carrier concentration induced by the presence of intrinsic high concentration of Ge vacancy. In this study, we report a thermoelectric figure of merit ZT of 1.56 at 700 K, realized in Sb-doped GeTe based thermoelectric(TE)materials via combined effect of suppression of intrinsic Ge vacancy and Sb doping. The nonequilibrium nature during melt spinning process plays very important role. For one thing, it promotes the homogeneity in Ge_(1-x)Sb_xTe samples and refines the grain size of the product. Moreover the persistent Ge precipitated as impurity phase in the traditional synthesis process is found to be dissolved back into the GeTe sublattice, accompanying with a drastic suppression of Ge vacancies concentration which in combination with Sb electron doping significantly reduced the inherent carrier concentration in GeTe.Low carrier concentration, approaching the optimum carrier concentration ～3.74 × 10^(-20) cm^(-3) and a high power factor of 4.01 × 10^(-3) W m^(-1)K^(-2) at 750 K are achieved for Ge_(0.98)Sb_(0.02) Te sample. In addition,the enhanced grain boundary phonon scattering by refining the grain size through melt spinning(MS)process, coupled with the intensified alloying phonon scattering via Sb doping leads to low thermal conductivity of 1.53 W m^(-1) K^(-1) at 700 K for Ge_(0.94) Sb_(0.06) Te sample. All those contribute to a high ZT value,representing over 50% improvement in the ZT value compared to the Sb free samples, which provides an alternative way for ultrafast synthesis of high performance GeTe based thermoelectric material.
基金supported by the National Natural Science Foundation of China(NSFC)under Grant Nos.51806116 and 11875001。
文摘How to accurately probe chemically reactive fiows with essential thermodynamic nonequilibrium effects is an open issue.Via the Chapman–Enskog analysis,the local nonequilibrium particle velocity distribution function is derived from the gas kinetic theory.It is demonstrated theoretically and numerically that the distribution function depends on the physical quantities and derivatives,and is independent of the chemical reactions directly as the chemical time scale is longer than the molecular relaxation time.Based on the simulation results of the discrete Boltzmann model,the departure between equilibrium and nonequilibrium distribution functions is obtained and analyzed around the detonation wave.In addition,it has been verified for the first time that the kinetic moments calculated by summations of the discrete distribution functions are close to those calculated by integrals of their original forms.
基金supported by the National Natural Science Foundation of China(52072282)the National Key Research and Development Program of China(2019YFA0704900)performed at the Nanostructure Research Center(NRC),which is supported by the Fundamental Research Funds for the Central Universities(WUT:2021Ⅲ016GX)。
文摘Although traditional ferroelectric materials are usually dielectric and nonconductive,GeTe is a typical ferroelectric semiconductor,possessing both ferroelectric and semiconducting properties.GeTe is also a widely studied thermoelectric material,whose performance has been optimized by doping with various elements.However,the impact of the ferroelectric domains on the thermoelectric properties remains unclear due to the difficulty to directly observe the ferroelectric domains and their evolutions under actual working conditions where the material is exposed to high temperatures and electric currents.Herein,based on in-situ investigations of the ferroelectric domains and domain walls in both pure and Sb-doped GeTe crystals,we have been able to analyze the dynamic evolution of the ferroelectric domains and domain walls,exposed to an electric field and temperature.Local structural heterogeneities and nano-sized ferroelectric domains are generated due to the interplay of the Sb^(3+)dopant and the Ge-vacancies,leading to the increased number of charged domain walls and a much improved thermoelectric performance.This work reveals the fundamental mechanism of ferroelectric thermoelectrics and provides insights into the decoupling of previously interdependent properties such as thermo-power and electrical conductivity.
