A simple and effective model of heat conduction across thin films is set up and molecular dynamics simulations are implemented to explore the thermal conductivity of nanoscale thin dielectric films in the direction pe...A simple and effective model of heat conduction across thin films is set up and molecular dynamics simulations are implemented to explore the thermal conductivity of nanoscale thin dielectric films in the direction perpendicular to the film plane. Solid argon is selected as the model system due to its reliable experimental data and potential function. Size effects of the thermal conductivity across thin films are found by computer simulations: in a film thickness range of 2-10 nm, the conductivity values are remarkably lower than the corresponding bulk experimental data and increase as the thickness increases. The consistency between the approximate solution of the phonon Boltzmann transport equation and the simulation results ascribes the thermal conductivity size effect to the phonon scattering at film boundaries.展开更多
This contribution starts with the discussion on the classification of energy, and then the behaviors of various thermodynamic processes are analyzed, accompanying with the comparison of the adiabatic compression proce...This contribution starts with the discussion on the classification of energy, and then the behaviors of various thermodynamic processes are analyzed, accompanying with the comparison of the adiabatic compression process of an ideal gas and an elastic rod. All these analyses show that the internal energy of ideal gases exhibits the duality of thermal energy–mechanical energy, that is,the internal energy acts as the thermal energy during the isochoric process, while the internal energy acts as the mechanical energy during the isentropic process. Such behavior of the internal energy is quite different from other types of energy during the energy conversion process because the internal energy of ideal gases exhibits the duality of thermal energy–mechanical energy. Because of this duality, the internal energy of ideal gas is proposed to be refered to as thermodynamic energy rather than thermal energy as indicated in some literature, although it consists of kinetics of the microscopic random motion of particles and can be expressed as the function of temperature only.展开更多
Canonical ensemble Monte Carlo simulations have been carried out to investigate thethermodynamic properties of two-dimensional fluids subjected to truncated Lennard-Jones 12-6 potential. The simulations of thermodynam...Canonical ensemble Monte Carlo simulations have been carried out to investigate thethermodynamic properties of two-dimensional fluids subjected to truncated Lennard-Jones 12-6 potential. The simulations of thermodynamic states sweep across liquid-vapor regime over a wide range of thermodynamic conditions. Simulated isotherms behave van der Waals loop-like characteristics in the liquid-vapor phase-transition region. It suggests a continuous isothermal phase transition in the case of micro system, in which the system size prohibits phase separation. Two-dimensional dimensionless van der Waals equation of states has been obtained from theoretical analysis. By fitting simulated data to this equation, temperature-dependent parameters in the equation have been determined.展开更多
The optical and radiative properties of aerosols during a severe haze episode from 15 to 22 December 2016 over Beijing, Shijiazhuang, and Jiaozuo in the North China Plain were analyzed based on the ground-based and sa...The optical and radiative properties of aerosols during a severe haze episode from 15 to 22 December 2016 over Beijing, Shijiazhuang, and Jiaozuo in the North China Plain were analyzed based on the ground-based and satellite data, meteorological observations, and atmospheric environmental monitoring data. The aerosol optical depth at 500 nm was 〈 0.30 and increased to 〉 1.4 as the haze pollution developed. The Angstr6m exponent was 〉 0.80 for most of the study period. The daily single-scattering albedo was 〉 0.85 over all of the North China Plain on the most polluted days and was 〉 0.97 on some particular days. The volumes of fine and coarse mode particles during the haze event were approximately 0.05-0.21 and 0.01-0.43 μm^3, respectively-that is, larger than those in the time without haze. The daily absorption aerosol optical depth was about 0.01-0.11 in Beijing, 0.01-0.13 in Shijiazhuang, and 0.01-0.04 in Jiaozuo, and the average absorption Angstrom exponent varied between 0.6 and 2.0. The aerosol radiative forcing at the bottom of the atmosphere varied from -23 to -227, -34 to -199, and -29 to -191 W m^-2 for the whole haze period, while the aerosol radiative forcing at the top of the atmosphere varied from -4 to -98, -10 to -51, and -21 to -143 W m^-2 in Beijing, Shijiazhuang, and Jiaozuo, respectively. Satellite observations showed that smoke, polluted dust, and polluted continental components of aerosols may aggravate air pollution during haze episodes. The analysis of the potential source contribution function and concentration-weighted trajectory showed that the contribu- tion from local emissions and pollutants transport from upstream areas were 190-450 and 100-410 btg m-3, respectively.展开更多
Thermal management aims at making full use of energy resources available in the space station to reduce energy consumption, waste heat rejection and the weight of the station. It is an extension of the thermal control...Thermal management aims at making full use of energy resources available in the space station to reduce energy consumption, waste heat rejection and the weight of the station. It is an extension of the thermal control. This discussion introduces the concept and development of thermal management, presents the aspects of thermal management and further extends its application to subsystems of the space station.展开更多
The embedded-atom method is adopted to simulate the specific heat capacity of liquid silver. The relationship between the specific heat capacity and the temperature above and below melting point is derived. The result...The embedded-atom method is adopted to simulate the specific heat capacity of liquid silver. The relationship between the specific heat capacity and the temperature above and below melting point is derived. The results show that there exists an anormaly of the specific heat capacity of liquid silver near 950 K. Simulated pair distribution functions show that the liquid-to-glass transition takes place at this temperature.展开更多
By statistically analyzing the condensation process and reconsidering the transition state theory for condensation and evaporation, we first presented a completed theoretical formula of the condensation coefficient. N...By statistically analyzing the condensation process and reconsidering the transition state theory for condensation and evaporation, we first presented a completed theoretical formula of the condensation coefficient. Namely, the unknown parameters contained within the transition state theoretical calculation of the condensation coefficient are determined. The condensation coefficients calculated from this formula agree well with those from molecular dynamics simulations. With this formula, the classical expression of the condensation flux developed from the gas kinetic theory can be used to predict the condensation flux.展开更多
基金the National Natural Science Foundation of China (Grant No. 59776013).
文摘A simple and effective model of heat conduction across thin films is set up and molecular dynamics simulations are implemented to explore the thermal conductivity of nanoscale thin dielectric films in the direction perpendicular to the film plane. Solid argon is selected as the model system due to its reliable experimental data and potential function. Size effects of the thermal conductivity across thin films are found by computer simulations: in a film thickness range of 2-10 nm, the conductivity values are remarkably lower than the corresponding bulk experimental data and increase as the thickness increases. The consistency between the approximate solution of the phonon Boltzmann transport equation and the simulation results ascribes the thermal conductivity size effect to the phonon scattering at film boundaries.
基金supported by the National Natural Science Foundation of China(51136001 and 51356001)Tsinghua University Initiative Scientific Research Program and Science Fund for Creative Research Groups(51321002)
文摘This contribution starts with the discussion on the classification of energy, and then the behaviors of various thermodynamic processes are analyzed, accompanying with the comparison of the adiabatic compression process of an ideal gas and an elastic rod. All these analyses show that the internal energy of ideal gases exhibits the duality of thermal energy–mechanical energy, that is,the internal energy acts as the thermal energy during the isochoric process, while the internal energy acts as the mechanical energy during the isentropic process. Such behavior of the internal energy is quite different from other types of energy during the energy conversion process because the internal energy of ideal gases exhibits the duality of thermal energy–mechanical energy. Because of this duality, the internal energy of ideal gas is proposed to be refered to as thermodynamic energy rather than thermal energy as indicated in some literature, although it consists of kinetics of the microscopic random motion of particles and can be expressed as the function of temperature only.
文摘Canonical ensemble Monte Carlo simulations have been carried out to investigate thethermodynamic properties of two-dimensional fluids subjected to truncated Lennard-Jones 12-6 potential. The simulations of thermodynamic states sweep across liquid-vapor regime over a wide range of thermodynamic conditions. Simulated isotherms behave van der Waals loop-like characteristics in the liquid-vapor phase-transition region. It suggests a continuous isothermal phase transition in the case of micro system, in which the system size prohibits phase separation. Two-dimensional dimensionless van der Waals equation of states has been obtained from theoretical analysis. By fitting simulated data to this equation, temperature-dependent parameters in the equation have been determined.
基金Supported by the National Key R&D Program(2016YFC0203306 and 2016YFA0601901)National Natural Science Foundation of China(41401403,41590874,and 41375153)+1 种基金Key Technology R&D Program of Henan Province(162102310089)Basic Research Project of Chinese Academy of Meteorological Sciences(2016Z001 and 2014R17)
文摘The optical and radiative properties of aerosols during a severe haze episode from 15 to 22 December 2016 over Beijing, Shijiazhuang, and Jiaozuo in the North China Plain were analyzed based on the ground-based and satellite data, meteorological observations, and atmospheric environmental monitoring data. The aerosol optical depth at 500 nm was 〈 0.30 and increased to 〉 1.4 as the haze pollution developed. The Angstr6m exponent was 〉 0.80 for most of the study period. The daily single-scattering albedo was 〉 0.85 over all of the North China Plain on the most polluted days and was 〉 0.97 on some particular days. The volumes of fine and coarse mode particles during the haze event were approximately 0.05-0.21 and 0.01-0.43 μm^3, respectively-that is, larger than those in the time without haze. The daily absorption aerosol optical depth was about 0.01-0.11 in Beijing, 0.01-0.13 in Shijiazhuang, and 0.01-0.04 in Jiaozuo, and the average absorption Angstrom exponent varied between 0.6 and 2.0. The aerosol radiative forcing at the bottom of the atmosphere varied from -23 to -227, -34 to -199, and -29 to -191 W m^-2 for the whole haze period, while the aerosol radiative forcing at the top of the atmosphere varied from -4 to -98, -10 to -51, and -21 to -143 W m^-2 in Beijing, Shijiazhuang, and Jiaozuo, respectively. Satellite observations showed that smoke, polluted dust, and polluted continental components of aerosols may aggravate air pollution during haze episodes. The analysis of the potential source contribution function and concentration-weighted trajectory showed that the contribu- tion from local emissions and pollutants transport from upstream areas were 190-450 and 100-410 btg m-3, respectively.
文摘Thermal management aims at making full use of energy resources available in the space station to reduce energy consumption, waste heat rejection and the weight of the station. It is an extension of the thermal control. This discussion introduces the concept and development of thermal management, presents the aspects of thermal management and further extends its application to subsystems of the space station.
基金This work was supported by the National Natural Science Foundation of China (Grant No. 59876016) the Project of High Technology and Department Program of China, the Fundamental Research Foundation and the Tongfang High Performance Computation Foundat
文摘The embedded-atom method is adopted to simulate the specific heat capacity of liquid silver. The relationship between the specific heat capacity and the temperature above and below melting point is derived. The results show that there exists an anormaly of the specific heat capacity of liquid silver near 950 K. Simulated pair distribution functions show that the liquid-to-glass transition takes place at this temperature.
基金This work was supported by the National Natural Science Foundation of China (Grant No. 50106004)the Fundamental Research Foundation of the Mechanical Engineering School of Tsinghua University.
文摘By statistically analyzing the condensation process and reconsidering the transition state theory for condensation and evaporation, we first presented a completed theoretical formula of the condensation coefficient. Namely, the unknown parameters contained within the transition state theoretical calculation of the condensation coefficient are determined. The condensation coefficients calculated from this formula agree well with those from molecular dynamics simulations. With this formula, the classical expression of the condensation flux developed from the gas kinetic theory can be used to predict the condensation flux.
