FLOCKING OF A THERMODYNAMIC CUCKER-SMALE MODEL WITH LOCAL VELOCITY INTERACTIONS

In this paper, we study the flocking behavior of a thermodynamic Cucker–Smale model with local velocity interactions. Using the spectral gap of a connected stochastic matrix, together with an elaborate estimate on perturbations of a linearized system, we provide a sufficient framework in terms of initial data and model parameters to guarantee flocking. Moreover, it is shown that the system achieves a consensus at an exponential rate.

Crystallization thermodynamics of 2,4(5)-dinitroimidazole in binary solvents

2,4(5)-Dinitroimidazole(2,4(5)-DNI)is an important organic intermediate,and itself can also be used for energetic material.In this work,the solubility of 2,4(5)-DNI in(methanol+water,acetonitrile+water,acetone+water)binary solvents were measured by using a dynamic test method from 278.15 K to 323.15 K under 101.1 k Pa.The Jouyban–Acree model,van't Hoff–Jouyban–Acree model,Apelblat–Jouyb an–Acree model,Ma model,and Sun model were used to correlate the experimental data.The values of relative average deviation(RAD)and root-mean-square deviation(RMSD)were very small,indicating that the error between the experimental value and the correlated value was very small.The thermodynamic parameters such as dissolution enthalpy,dissolution entropy and Gibbs energy were calculated based on solubility data.High-purity of 2,4(5)-DNI was efficiently obtained by using cooling and dilution crystallization method.

Pseudo-rapidity distributions of charged particles in asymmetric collisions using Tsallis thermodynamics

The pseudo-rapidity distributions of the charged particles produced in the asymmetric collision systems p+Al,p+Au and ^(3)He+Au at√S_(NN)=200 GeV GeV are evaluated in the framework of a fireball model with Tsallis thermodynamics.The fireball model assumes that the experimentally measured particles are produced by fireballs following the Tsallis distribution and it can effectively describe the experimental data.Our results as well as previous results for d+Au collisions at√S_(NN)=200 GeV GeV and p+Pb collisions at√S_(NN)=5.02 TeV TeV validate that the fireball model based on Tsallis thermodynamics can provide a universal framework for pseudo-rapidity distribution of the charged particles produced in asymmetric collision systems.We predict the centrality dependence of the total charged particle multiplicity in the p+Al,p+Au and 3He+Au collisions.Additionally,the dependences of the fireball model parameters(y_(0a),y_(0A),σ_(a) and σ_(A))on the centrality and system size are studied.

Thermodynamic limit of the XXZ central spin model with an arbitrary central magnetic field

The U(1)symmetry of the X X Z central spin model with an arbitrary central magnetic field B is broken,since its total spin in the z-direction is not conserved.We obtain the exact solutions of the system by using the off-diagonal Bethe ansatz method.The thermodynamic limit is investigated based on the solutions.We find that the contribution of the inhomogeneous term in the associated T-Q relation to the ground state energy satisfies an N^(-1)scaling law,where N is the total number of spins.This result makes it possible to investigate the properties of the system in the thermodynamic limit.By assuming the structural form of the Bethe roots in the thermodynamic limit,we obtain the contribution of the direction of B to the ground state energy.It is shown that the contribution of the direction of the central magnetic field is a finite value in the thermodynamic limit.This is the phenomenon caused by the U(1)symmetry breaking of the system.

CONTINUOUS THERMODYNAMICS FOR POLYMER SOLUTIONS I.CLOSE-PACKED LATTICE MODEL

using close-packed lattice models,a continuous thermodynamic framework is presented forphase-equilibrium calculations for binary solutions with a polydisperse polymer solute.An expressionfor the Helmholtz function of mixing is based on the revised Freed model developed previously.Asize parameter c_r and an energy parameter ε are used;the former can be temperature dependent,while the latter can depend on both temperature and chain-length of the polymer.The discretemulticomponent approach is adopted to derive expressions for chemical potentials,spinodals and criti-cal points.The continuous distribution function is then used in calculations of moments occurring inthose expressions.Computation programs are established for cloud-point-curve,shadow-curve,spinodal and critical-point calculations for polymer solutions with standard distribution or arbitrarydistribution of polymer.In the latter case,the derivative method developed previously is applied.lllustrations for phase-equilibrium calculations are

Variable-mass Thermodynamics Calculation Model for Gas-operated Automatic Weapon

Aiming at the fact that the energy and mass exchange phenomena exist between barrel and gas-operated device of the automatic weapon, for describing its interior ballistics and dynamic characteristics of the gas-operated device accurately, a new variable-mass thermodynamics model is built. It is used to calculate the automatic mechanism velocity of a certain automatic weapon, the calculation results coincide with the experimental results better, and thus the model is validated. The influences of structure parameters on gas-operated device's dynamic characteristics are discussed. It shows that the model is valuable for design and accurate performance prediction of gas-operated automatic weapon.

CONTINUOUS THERMODYNAMICS FOR POLYMER SOLUTIONS Ⅱ.LATTICE-FLUID MODEL

Using lattice-fluid model,a continuous thermodynamic framework is presented forphase-equilibrium calculations for binary solutions with a polydisperse polymer solute.A two-stepprocess is deslgned to form a real polymer solution containing a solvent and a polydisperse polymersolute occupying a volume at fixed temperature and pressure.In the first step,close-packed purecomponents including solvent and polymers with different molar masses or different chain lengths aremixed to form a closed-packed polymer solution.In the second step,the close-packed mixture,con-sidered to be a pseudo-pure substance is mixed with holes to form a real polymer solution with a vol-ume dependent on temperature and pressure.Revised Freed’s model developed previously is adoptedfor both steps.Besides pure-component parameters,a binary size parameter cr and a binary energyparameter ε12 are used.They are all temperature dependent.The discrete-multicomponent approach isadopted to derive expressions for chemical potentials。

The Cloud Model for Climate Change

In 1995, the Intergovernmental Panel on Climate Change (IPCC) released a thermodynamic model based on the Greenhouse Effect, aiming to forecast global temperatures. This study delves into the intricacies of that model. Some interesting observations are revealed. The IPCC model equated average temperatures with average energy fluxes, which can cause significant errors. The model assumed that all energy fluxes remained constant, and the Earth emitted infrared radiation as if it were a blackbody. Neither of those conditions exists. The IPCC’s definition of Climate Change only includes events caused by human actions, excluding most causes. Satellite data aimed at the tops of clouds may have inferred a high Greenhouse Gas absorption flux. The model showed more energy coming from the atmosphere than absorbed from the sun, which may have caused a violation of the First and Second Laws of Thermodynamics. There were unexpectedly large gaps in the satellite data that aligned with various absorption bands of Greenhouse Gases, possibly caused by photon scattering associated with re-emissions. Based on science, we developed a cloud-based climate model that complied with the Radiation Laws and the First and Second Laws of Thermodynamics. The Cloud Model showed that 81.3% of the outgoing reflected and infrared radiation was applicable to the clouds and water vapor. In comparison, the involvement of CO2 was only 0.04%, making it too minuscule to measure reliably.

A Maxwell Demon Model Connecting Information and Thermodynamics

In the past decades several theoretical Maxwell＇s demon models have been proposed to exhibit effects such as refrigerating, doing work at the cost of information, and some experiments have been carried out to realize these effects. We propose a model with a two-level demon, information represented by a sequence of bits, and two heat reservoirs. The reservoir that the demon is interacting with depends on the bit. When the temperature difference between the two heat reservoirs is large enough, the information can be erased. On the other hand, when the information is pure enough, heat transfer from one reservoir to the other can happen, resulting in the effect of refrigeration. Genuine examples of such a system are discussed.

Coherent Application of a Contact Structure to Formulate Classical Non-Equilibrium Thermodynamics

This contribution presents an outline of a new mathematical formulation for Classical Non-Equilibrium Thermodynamics (CNET) based on a contact structure in differential geometry. First a non-equilibrium state space is introduced as the third key element besides the first and second law of thermodynamics. This state space provides the mathematical structure to generalize the Gibbs fundamental relation to non-equilibrium thermodynamics. A unique formulation for the second law of thermodynamics is postulated and it showed how the complying concept for non-equilibrium entropy is retrieved. The foundation of this formulation is a physical quantity, which is in non-equilibrium thermodynamics nowhere equal to zero. This is another perspective compared to the inequality, which is used in most other formulations in the literature. Based on this mathematical framework, it is proven that the thermodynamic potential is defined by the Gibbs free energy. The set of conjugated coordinates in the mathematical structure for the Gibbs fundamental relation will be identified for single component, closed systems. Only in the final section of this contribution will the equilibrium constraint be introduced and applied to obtain some familiar formulations for classical (equilibrium) thermodynamics.

Phonon Dispersion and Thermodynamics Properties of CaF_2 via Shell Model Molecular Dynamics Simulations

在高压力和高温度的以脸为中心的立方的 CaF 2 的声子和热力学性质被使用壳模型调查内部在一般实用程序格子节目以内的原子对潜力(吞下) 。声子分散曲线和在这个工作的状态(PDOS ) 的相应密度与试验性的数据和另外的理论结果一致。横向光(到) 并且纵光(LO ) 模式在经常的体积 CV 和熵 S 对压力和温度象热能力一样切开也被获得。

Thermodynamics and elastic properties of Ta from first-principles calculations

Within the framework of the quasiharmonic approximation, the thermodynamics and elastic properties of Ta, including phonon density of states （DOS）, equation of state, linear thermal expansion coefficient, entropy, enthalpy, heat capacity, elastic constants, bulk modulus, shear modulus, Young＇s modulus, microhardness, and sound velocity, are studied using the first-principles projector-augmented wave method. The vibrational contribution to Helmholtz free energy is evaluated from the first-principles phonon DOS and the Debye model. The thermal electronic contribution to Helmholtz free energy is estimated from the integration over the electronic DOS. By comparing the experimental results with the calculation results from the first-principles and the Debye model, it is found that the thermodynamic properties of Ta are depicted well by the first-principles. The elastic properties of Ta from the first-principles are consistent with the available experimental data.

Design and Numerical Simulation of an Arctic Ocean Circulation and Thermodynamic Sea－Ice Model

In this paper, the first version of a new Arctic Ocean circulation and thermodynamic sea-ice model is presentedby the authors based on the framework of a twenty-layer World Oceanic general circulation model developed byZhang et al. in 1994. The model's domain covers the Arctic Ocean and Greenland-Norwegian Seas with the horizontal resolution of 200 km×200 km on a stereographic projection plane. In vertical, the model uses the Eta-coordinate(Sigma modified to have quasi-horizontal coordinate surfaces) and has ten unevenly-spaced layers to cover the deepest water column of 3000 m. Two 150-year integrations of coupling the ocean circulation model with the sea-icemodel have been performed with seasonally cyclic surface boundary conditions. The only difference between the tWoexperiments is in the model's geography. Some preliminary analyses of the experimental results have been done focused on the following aspects: (1) surface layer temperature, salinity and current; (2) the' Atlantic Layer'; (3)sea-ice cover and its seasonal variation. In comparison with the available observational data, these results are acceptable with reasonable accuracy.

Thermodynamic modeling and phase diagram prediction of salt lake brine systems.Ⅰ. Aqueous Mg^2+–Ca^2+–Cl^- binary and ternary systems

Salt lake brine is a complex salt-water system under natural environment.Although many models can express the thermodynamic properties and phase equilibrium of electrolyte aqueous solution,the multi-temperature characteristics and predictability are still the goals of model development.In this study,a comprehensive thermodynamic model system is re-established based on the eNRTL model and some improvements:(1) new expression of long-range electrostatic term with symmetrical reference state is proposed to handle the electrolyte solution covering entire concentration range;(2) the temperature dependence of the binary interaction parameters is formulated with a Gibbs Helmholtz expression containing three temperature coefficients,the liquid parameters,which associated with Gibbs energy,enthalpy,and heat capacity contribution;and(3) liquid parameters and solid species data are regressed from properties and solubility data at full temperature range.Together the activity coefficient model,property models and parameters of liquid and solid offer a comprehensive thermodynamic model system for the typical bittern of MgCl2-CaCl2-H2 O binary and ternary systems,and it shows excellent agreement with the literature data for the ternary and binary systems.The successful prediction of complete phase diagram of ternary system shows that the model has the ability to deal with high concentration and high non-idealitv system,and the ability to extrapolate the temperature.

Thermodynamics and kinetics of hydriding and dehydriding reactions in Mg-based hydrogen storage materials

Mg-based materials are one of the most promising hydrogen storage candidates due to their high hydrogen storage capacity,environmental benignity,and high Clarke number characteristics.However,the limited thermodynamics and kinetic properties pose major challenges for their engineering applications.Herein,we review the recent progress in improving their thermodynamics and kinetics,with an emphasis on the models and the influence of various parameters in the calculated models.Subsequently,the impact of alloying,composite,and nanocrystallization on both thermodynamics and dynamics are discussed in detail.In particular,the correlation between various modification strategies and the hydrogen capacity,dehydrogenation enthalpy and temperature,hydriding/dehydriding rates are summarized.In addition,the mechanism of hydrogen storage processes of Mg-based materials is discussed from the aspect of classical kinetic theories and microscope hydrogen transferring behavior.This review concludes with an outlook on the remaining challenge issues and prospects.

Leaching calcium from phosphogypsum desulfurization slag by using ammonium chloride solution: Thermodynamics and kinetics study

Phosphogypsum(PG) desulfurization slag is a calcium-rich residue from reductive decomposition of PG using sulfur as the reductant. We proposed a technology of preparation light calcium carbonate with PG desulfurization slag, which mainly contains two steps: leaching and carbonizing. In this work, we concentrated on the former, in which ammonium chloride aqueous solution was utilized as leaching agent to extract calcium from the slag, and conducted thermodynamics and kinetics study on it. Fact Sage software was employed to do thermodynamic and phase equilibrium diagram calculations. The influence of leaching conditions including agitation speed, initial concentration of leaching solution, reaction temperature, and liquid/solid ratio on the calcium leaching rate was discussed in detail by means of experiment optimal design. A kinetic model developed from the shrinking core model was given to describe the leaching process. The apparent kinetic activation energy(Ea) of the leaching reaction was calculated to be 10.58 kJ·mol^-1.

A general thermodynamic model for the long-period stacking ordered phases in magnesium alloys

A thermodynamic model Mg x(Xs,Mg)6(Xl,Mg)8(Xs and Xl are elements smaller and larger than Mg)for long-period stacking ordered phases(LPSOs)was proposed based on two key factors:the Xs 6 Xl 8-type L12 clusters and the variation of chemical compositions.In general,all available LPSOs can be described with this model.As a representative system,Mg-Y-Zn with three LPSOs was investigated using the CALPHAD(calculation of phase diagram)approach aided with first-principles calculations.Two new three-phase equilibria were predicted and were validated by key experiments.The model-based descriptions will be the basis for the research and development of magnesium alloys.

Thermodynamic modeling of the La-Mg-Y system and Mg-based alloys database

As an example of the La-Mg-Y system, the method how to set up the themaodynamic model of individual phases was introduced in the process of thermodynamic optimization. The solution phases （liquid, body-centered cubic, face-centered cubic, hexagonal close-packed and double hexagonal close-packed） were modeled with the Redlich-Kister equation. The compound energy model has been used to describe the thermodynamic functions of the intermetallic compounds in the La-Mg-Y systems. The compounds Mg2Y, Mg24Y5, Mg12La, Mg17La2, Mg41Las, Mg3La and Mg2La in the La-Mg-Y system were treated as the formulae （Mg,Y）2（La,Mg,Y）, Mg24（La,Mg,Y）4Y, Mg12（La, Y）, Mg17（La,Y）2, Mg41（La,Y）5, Mg3（La,Mg,Y） and Mg2（La, Y）, respectively. A model （La, Mg,Y）0.5（La,Mg,Y）0.5 was applied to describe the compound MgM formed by MgLa and MgY in order to cope with the order-disorder transition between body-centered cubic solution （A2） and MgM with CsCl-type structure （B2） in the La-Mg-Y system. The Gibbs energies of individual phases were optimized in the La-Mg, La-Y and La-Mg-Y systems by CALPHAD technique. The projection of the liquidus surfaces for the La-Mg-Y system was predicted. The Mg-based alloys database including 36 binary and 15 ternary systems formed by Mg, Al, Cu, Ni, Mn, Zn and rare earth elements was set up in SGTE standard.

Inter-comparisons of thermodynamic sea-ice modeling results using various parameterizations of radiative flux

Radiative fluxes are of primary importance in the energy and mass balance of the sea-ice cover. Various parameterizations of the radiative fluxes are studied in a thermodynamic sea-ice model. Model outputs of the surface radiative and heat fluxes and mass balance are compared with observations. The contribution of short-wave radiation is limited to a long part of winter. Therefore, simple schemes are often sufficient. Errors in estimations of the short-wave radiation are due mainly to cloud effects and occasionally to multi-reflection between surface and ice crystals in the air. The long-wave radiation plays an important role in the ice surface heat and mass balance during most part of a winter. The effect of clouds on the accuracy of the simple radiative schemes is critical, which needs further attention. In general, the accuracy of an ice model depends on that of the radiative fluxes.