高压下Ni3Al热力学性质的第一性原理研究

运用第一性原理方法结合准谐Debye-Grüneisen模型研究了高压下Ni3Al的热力学性质,拟合了Ni3Al的状态方程,计算了不同压强下Ni3Al的弹性模量及吉布斯自由能等热力学性质随温度的变化关系. 计算结果表明：采用七阶Birch-Murnaghan方程拟合的晶格常数与实验测量结果吻合较好;零压下弹性模量、吉布斯自由能、焓、熵、热容和体膨胀系数随温度的变化与实验值符合较好;在特定压强下,Ni3Al的弹性模量和吉布斯自由能随温度升高而减小,焓、熵随温度升高而增加;预测的德拜温度约为500K,与实验值符合较好.     

Generalized Uncertainty Principle and Thermostatistics: A Semiclassical Approach

We present an exact treatment of the thermodynamics of physical systems in the framework of the generalized uncertainty principle (GUP). Our purpose is to study and compare the consequences of two GUPs that one implies a minimal length while the other predicts a minimal length and a maximal momentum. Using a semiclassical method, we exactly calculate the modified internal energies and heat capacities in the presence of generalized commutation relations. We show that the total shift in these quantities only depends on the deformed algebra not on the system under study. Finally, the modified internal energy for an specific physical system such as ideal gas is obtained in the framework of two different GUPs.     

Geometrical thermodynamics and P–V criticality of the black holes with power-law Maxwell field

We study the thermodynamical structure of Einstein black holes in the presence of power Maxwell invariant nonlinear electrodynamics for two different cases. The behavior of temperature and conditions regarding the stability of these black holes are investigated. Since the language of geometry is an effective method in general relativity, we concentrate on the geometrical thermodynamics to build a phase space for studying thermodynamical properties of these black holes. In addition, taking into account the denominator of the heat capacity, we use the proportionality between cosmological constant and thermodynamical pressure to extract the critical values for these black holes. Besides, the effects of the variation of different parameters on the thermodynamical structure of these black holes are investigated. Furthermore, some thermodynamical properties such as the volume expansion coefficient, speed of sound, and isothermal compressibility coefficient are calculated and some remarks regarding these quantities are given.     

Effects of thermal fluctuations on non-minimal regular magnetic black hole

We analyze the effects of thermal fluctuations on a regular black hole (RBH) of the non-minimal Einstein–Yang–Mill theory with gauge field of magnetic Wu–Yang type and a cosmological constant. We consider the logarithmic corrected entropy in order to analyze the thermal fluctuations corresponding to non-minimal RBH thermodynamics. In this scenario, we develop various important thermodynamical quantities, such as entropy, pressure, specific heats, Gibb’s free energy and Helmholtz free energy. We investigate the first law of thermodynamics in the presence of logarithmic corrected entropy and non-minimal RBH. We also discuss the stability of this RBH using various frameworks such as the \(\gamma \) factor (the ratio of heat capacities), phase transition, grand canonical ensemble and canonical ensemble. It is observed that the non-minimal RBH becomes globally and locally more stable if we increase the value of the cosmological constant.     

蓄冷器空体积对脉冲管制冷机性能的影响

基于理想气体与蓄冷器的假设,运用热力学第一、二定律对蓄冷器进行热力学分析,研究工质温度在蓄冷器单元内的变化,以及脉管制冷机运行频率对工质温度的影响,并运用Matlab软件,对蓄冷器单元内温度进行模拟。研究表明:对于理想蓄冷器,同等压力波幅下,增大频率和蓄冷器空体积,都会增大气体的温度波动幅值。     

Thermal consequences of a regular black hole with cosmological constant and Einstein–Aether black hole

We discuss the thermodynamics of regular black hole (RBH) with cosmological constant and Einstein–Aether black hole (BH) with coupling constant in the presence of thermal corrections. For these BHs, we develop various thermodynamical quantities such as entropy, pressure, specific heats, Gibbs free energy and Helmholtz free energy. Thermal stability is also being analyzed through γ factor, Gibbs free energy and Helmholtz free energy. It is found that RBH with cosmological constant and Einstein–Aether show stable behavior with the increase of the values of cosmological and coupling constants.     

Thermodynamics and Preferred Frame

The Lorentz covariant statistical physics and thermodynamics is formulated within the preferred frame approach. The transformation laws for geometrical and mechanical quantities such as volume and pressure as well as the Lorentz-invariant measure on the phase space are found using Lorentz transformations in absolute synchronization. Next, the probability density and partition function are investigated using the preferred frame approach, and the transformation laws for internal energy, entropy, temperature and other thermodynamical potentials are established. The Lorentz covariance of basic thermodynamical relations, including Clapeyron's equation and Maxwell's relations is shown. Finally, the relation of presented approach to the previous approaches to relativistic thermodynamics is briefly discussed.     

Theoretical investigations on vibrational properties and thermal conductivities of ternary antimonides TiXSb,ZrXSb and HfXSb (X = Si,Ge)

We have performed density functional calculations of the vibrational and thermodynamic properties of the ternary antimonides TiXSb, ZrXSb and HfXSb (X = Si, Ge). The direct method is used to calculate the phonon dispersion relation and phonon density of states for these compounds as well as their infrared and Raman active mode frequencies for the first time. Their dynamical stability is confirmed by phonon spectra. The lattice thermal conductivities of these compounds have been calculated from third-order force constants and plotted as a function of temperature. We have also evaluated the high temperature thermal conductivity by means of the Clarke’s model and Cahill’s model. Some selected thermodynamical properties, e.g. Gibbs free energy, entropy and heat capacity at constant volume are predicted theoretically and discussed. We have showed the relationships between thermodynamical properties and temperature.     

Discussion of thermodynamic features within the PNJL model

We discuss some thermodynamical features of a QCD system within the two-flavor Polyakov loop extended Nambu–Jona-Lasinio(PNJL) model. Several thermodynamical quantities of interest(pressure, energy density,specific heat, speed of sound, etc.) are investigated and discussed in detail with two different forms of Polyakov loop potential. The effective coupling strength G incorporating a quark feedback(quark condensate) through operator product expansion is also discussed, as well as the relationship between color deconfinement and chiral phase crossover.We find that some thermodynamical quantities have quite different behavior for different Polyakov loop potentials.By changing the characteristic temperature T_0 of the pure Yang-Mills field, we find that when T_0 becomes small,color deconfinement might happen earlier than chiral phase crossover, while their relationship can be determined via some thermodynamical quantities. Furthermore, the behavior of the thermodynamical quantities is quite different in the two different forms of Polyakov loop potential studied. Especially, one of the potentials, specific heat, has two peaks, which correspond to color deconfinement and chiral phase crossover respectively. This interesting phenomenon may shed some light on whether the inflection points of the chiral condensate and deconfinement transitions happen at the same temperature or not for lattice QCD and experimental studies.     

Heat capacity of ZnO with cubic structure at high temperatures

The heat capacities at constant pressure and constant volume, and thermal expansivity are calculated for ZnO with rocksalt-type and zinc-blende-type cubic structures over a wide range of temperatures using molecular dynamics simulations with interactions due to effective pair-wise potentials which consist of the Coulomb, dispersion, and repulsion interaction. It is shown that the calculated structural and thermodynamic parameters including lattice constant, thermal-expansion coefficient, isothermal bulk modulus and its pressure derivative at ambient condition are in good agreement with the available experimental data and the latest theoretical results. At extended pressure and temperature ranges, lattice constant and heat capacity have also been predicted. The structural and thermodynamic properties of ZnO with cubic structure are summarized in the 300-1500 K temperature ranges and up to 100 kbar pressure.     

Charged torus-like black holes as heat engines

We investigate the thermodynamical properties of charged torus-like black holes and take it as the working substance to study the heat engines. In the extended phase space, by interpreting the cosmological constant as the thermodynamic pressure, we derive the thermodynamical quantities by the first law of black hole thermodynamics and obtain the equation of state. Then, we calculate the efficiency of the heat engine in the Carnot cycle as well as the rectangular cycle,and investigate how the efficiency changes with respect to volume. In addition, to avoid a negative temperature, we emphasize that the charge of this black hole cannot be arbitrary. Last,we check the calculation accuracy of a benchmark scheme and discuss the upper bound and lower bound for charged torus-like black hole in the scheme.     

Thermodynamics of gravitationally induced particle creation scenario in DGP braneworld

In this paper, we discuss the thermodynamical analysis for gravitationally induced particle creation scenario in the framework of DGP braneworld model. For this purpose, we consider apparent horizon as the boundary of the universe. We take three types of entropy such as Bakenstein entropy, logarithmic corrected entropy and power law corrected entropy with ordinary creation rate \(\Gamma \). We analyze the first law and generalized second law of thermodynamics analytically for these entropies which hold under some constraints. The behavior of total entropy in each case is also discussed which implies the validity of generalized second law of thermodynamics. Also, we check the thermodynamical equilibrium condition for two phases of creation rate, that is constant and variable \(\Gamma \) and found its vitality in all cases of entropy.     

干涉法测量气体低压下声速的实验研究

介绍了干涉法测量气体声速的试验原理和变程干涉声速测量的实验系统,使用本套测量系统测得的气体声速的精度可达5×10-4。根据热力学原理,分析了气体声速与理想气体比定压热容之间的物理关系。在本套实验系统上测得了一批高精度的新环保制冷剂的气相声速数据,并可进一步确定其理想气体比定压热容.     

First-principles study of lattice dynamics and thermodynamics ofosmium under pressure

We have performed the first-principles linear response calculations of the lattice dynamics, thermal equation of state and thermodynamical properties of hcp Os metal by using the plane-wave pseudopotential method. The thermodynamical properties are deduced from the calculated Helmholtz free energy by taking into account the electronic contribution and lattice vibrational contribution. The phonon frequencies at Gamma point are consistent with experimental values and the dispersion curves at various pressures have been determined. The calculated volume, bulk modulus and their pressure derivatives as a function of temperature are in excellent agreement with the experimental results. The calculated specific heat indicates that the electronic contribution is important not only at very low temperatures but also at high temperatures due to the electronic thermal excitation. The calculated Debye temperature at a very low temperature is in good agreement with experimental values and drops to a constant until 100~K.     

Analytic approach to the thermal Casimir force between metal and dielectric

The analytic asymptotic expressions for the Casimir free energy, pressure and entropy at low temperature in the configuration of one metal and one dielectric plate are obtained. For this purpose we develop the perturbation theory in a small parameter proportional to the product of the separation between the plates and the temperature. This is done using both the simplified model of an ideal metal and of a dielectric with constant dielectric permittivity and for the realistic case of the metal and dielectric with frequency-dependent dielectric permittivities. The analytic expressions for all related physical quantities at high temperature are also provided. The obtained analytic results are compared with numerical computations and good agreement is found. We demonstrate for the first time that the Lifshitz theory, when applied to the configuration of metal-dielectric, satisfies the requirements of thermodynamics if the static dielectric permittivity of a dielectric plate is finite. If it is infinitely large, the Lifshitz formula is shown to violate the Nernst heat theorem. The implications of these results for the thermal quantum field theory in Matsubara formulation and for the recent measurements of the Casimir force between metal and semiconductor surfaces are discussed.     

Nonequilibrium Gas and Generalized Billiards

Generalized billiards describe nonequilibrium gas, consisting of finitely many particles, that move in a container, whose walls heat up or cool down. Generalized billiards can be considered both in the framework of the Newtonian mechanics and of the relativity theory. In the Newtonian case, a generalized billiard may possess an invariant measure; the Gibbs entropy with respect to this measure is constant. On the contrary, generalized relativistic billiards are always dissipative,and the Gibbs entropy with respect to the same measure grows under some natural conditions. In this article, we find the necessary and sufficient conditions for a generalized Newtonian billiard to possess a smooth invariant measure, which is independent of the boundary action: the corresponding classical billiard should have an additional first integral of special type. In particular,the generalized Sinai billiards do not possess a smooth invariant measure. We then consider generalized billiards inside a ball, which is one of the main examples of the Newtonian generalized billiards which does have an invariant measure. We construct explicitly the invariant measure, and find the conditions for the Gibbs entropy growth for the corresponding relativistic billiard both formonotone and periodic action of the boundary.     

First-Principles Calculations of Elastic and Thermal Properties of Molybdenum Disilicide

The first-principles plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to anaylse the equilibrium lattice parameters, six independent elastic constants, bulk moduli, thermal expansions and heat capacities of MoSi2. The quasi-harmonic Debye model, using a set of total energy versus cell volume obtained with the plane-wave pseudopotential method, is applied to the study of the elastic properties, thermodynamic properties and vibrational effects. The calculated zero pressure elastic constants are in overall good agreement with the experimental data. The calculated heat capacities and the thermal expansions agree well with the observed values under ambient conditions and those calculated by others. The results show that the temperature has hardly any effect under high pressure.     

Lattice dynamics in light rare-gas crystals under pressure

The lattice dynamics of compressed neon and argon crystals has been theoretically investigated within the ab initio approach in the framework of the Tolpygo model, which explicitly includes the deformation of electron shells. The energy of zero-point vibrations, mean-square displacements, and specific heat capacities of compressed neon and argon face-centered cubic crystals have been calculated in the harmonic approximation using the dynamic matrix constructed with the ab initio short-range repulsive potential and integration over the mean-value points in the Brillouin zone. The calculated temperature dependences of the specific heat capacity and the Debye temperature are in good agreement with the data available in the literature on the experiment at zero pressure. The role of zero-point vibrations in the thermodynamics of the entire series of rare-gas crystals and, in particular, in the validity of the Lindemann melting criterion has been analyzed.     

Nonextensive nuclear liquid–gas phase transition

We study an effective relativistic mean-field model of nuclear matter with arbitrary proton fraction at finite temperature in the framework of nonextensive statistical mechanics, characterized by power-law quantum distributions. We investigate the presence of thermodynamic instability in a warm and asymmetric nuclear medium and study the consequent nuclear liquid–gas phase transition by requiring the Gibbs conditions on the global conservation of baryon number and electric charge fraction. We show that nonextensive statistical effects play a crucial role in the equation of state and in the formation of mixed phase also for small deviations from the standard Boltzmann–Gibbs statistics.