Simulation of heterogeneous atom recombination on spacecraft heat shield coatings using the methods of molecular dynamics

An efficient method of investigating the processes of interaction between gas mixtures and catalytic surfaces is developed within the framework of classical molecular dynamics. The recombination and chemical-energy accommodation coefficients on the catalytic surface can be determined with fewer computational resources than in the quantum-mechanical and semiclassical approaches. Oxygen atom recombination on a β-cristobalite surface of the type frequently used in spacecraft heat shield systems is investigated. The probability of atom recombination and the recombination energy accommodation coefficient obtained are in satisfactory agreement with the available experimental data and calculations made by means of the semiclassical method. The hypothesis that the probability of the Eley-Rideal reaction decreases and the probability of atom adsorption increases with increase in the atom collision energy is confirmed. It is attributable to the tendency of atoms to be trapped in the potential well and be desorbed in the atomic state when the surface collision energy is high instead of entering into a recombination reaction and then being desorbed in the molecular state.     

Identification of the Liquid and Vapour Transport Parameters of an Ecological Building Material in Its Early Stages

To fulfil the requirements of the new environmental standards in the building sector, increased use of materials containing vegetable particles (hemp) is expected. The manufacturing process of these materials has not yet reached the industrial stage which requires control of the drying process. The objective of this work is to study the various mechanisms of heat and mass transfers occurring during the drying of lime–hemp materials. A macroscopic model has been developed and solved numerically. In order to obtain the moisture transport coefficients, an optimization algorithm was used, allowing the estimation of parameter values by minimising an error criterion between simulated and experimental observations.     

Investigation of the Influence of Different Heterogeneous Recombination Mechanisms on the Heat Fluxes to a Catalytic Surface in Dissociated Carbon Dioxide

A kinetic model of heterogeneous recombination in dissociated carbon dioxide on high-temperature heat-shield coatings is developed; the model takes into account the nonequilibrium adsorption-desorption reactions of oxygen atoms and their recombination in the Eley-Rideal and Langmuir-Hinshelwood reactions. On the basis of a comparison of the calculated heat fluxes in dissociated carbon dioxide with those measured in the VGU-3 plasma generator of the Institute for Problems in Mechanics of the Russian Academy of Sciences (IPM RAS) and the available literature data, the parameters of the catalysis model are chosen for the glassy coating of the Buran orbiter tile heat shield based on the SiO₂–B₂O₃–SiB₄ system. The effects of heterogeneous recombination proceeding in accordance with the Langmuir-Hinshelwood mechanism, as well as the processes involving carbon atoms and those involving physically adsorbed oxygen atoms, on the heat fluxes to the glassy coating are analyzed on the surface temperature range from 300 to 2000 K.     

Modeling of catalytic activity of an Al2O3 surface on the basis of the first principles

The adsorption, desorption, impact, and associative heterogeneous recombination rate coefficients are determined for atomic oxygen in the temperature range between 500 and 2000 K on the basis of quantum chemical data on the energy of interaction of atomic and molecular oxygen with the clusters that model an α-Al₂0₃ surface. These coefficients are used to calculate the heterogeneous recombination probabilities and the heat fluxes to the surface under the conditions similar to those of the MESOX facility.     

活性Whipple结构超高速撞击防护性能实验研究

以二级轻气炮作为加载手段,针对以PTFE/Al活性材料为防护屏的Whipple防护结构,开展不同弹丸尺寸、不同碰撞速度的超高速撞击实验。利用激光阴影照相设备,获得并分析了碎片云特性;通过回收的防护结构靶板,研究了活性材料防护结构超高速撞击条件下的后板损伤特性;通过与经典Christiansen撞击极限方程对比,获得活性材料Whipple结构防护性能,并拟合得到新型防护结构的撞击极限曲线。结果表明,相较于同面密度铝合金材料,活性材料超高速撞击条件下的冲击起爆反应使得碎片云中具有侵彻能力的碎片大幅减少,从而显著提升航天器的防护能力,撞击速度为2.31 km/s时最大可提升45%。     

On the forward and backward in time problems in the Kelvin–Voigt thermoviscoelastic materials

This paper studies the uniqueness of solutions to the forward and backward in time boundary value problems associated with the Kelvin–Voigt viscoelastic model of the thermoelastic materials. For thermoviscoelastic materials with a center of symmetry, it is shown the uniqueness of solutions to the forward in time boundary value problems without any assumptions upon the thermoviscoelastic constitutive coefficients other than the symmetry properties and those induced by the dissipation inequality. While for the final boundary value problems two uniqueness theorems are presented: the first one is essentially based on the assumption that the specific heat is of negative definite sign, while the second is established in the class of displacement–temperature variation fields whose dissipation energy has a temporal behavior lower than an appropriate growing exponential.     

Control of transpiration cooling system and its characteristics

This paper gives the mathematical model of three-dimensional transpiration cooling control system in heat shield.Generally,it.a non-linear control system on variable-domain mixed up with both distributed and concentrated parameters.This paper points out that the thermal and ablative problems of the shield can be solved solely with the coolant flow only under one-dimensional incompressible or steady condition.In regard to the surface ablating problem of the thermal shield,the control schemes of the system,including its simplified condition and the characteristics of one-dimensional point control is suggested here.Solutions of the equilibrium state are given with or without phase change as far as the coolant is concerned.     

Heat transfer characteristics in a horizontal swirling fluidized bed

An innovative horizontal swirling fluidized bed (HSFB) with a rectangular baffle in the center of an air distributor and three layers of horizontal secondary air nozzles located at each corner of fluidized bed was developed. Experiments on heat transfer characteristics were conducted in a cold HSFB test model. Heat transfer coefficients between immersed tubes and bed materials in the HSBF were measured with the help of a fast response heat transfer probe. The influences of fluidization velocity, particle size of bed materials, measurement height, probe orientation, and secondary air injection, etc. on heat transfer coefficients were intensively investigated. Test results indicated that heat transfer coefficients increase with fluidization velocity, and reach their maximum values at 1.5-3 times of the minimum fluidization velocity. Heat transfer coefficients are variated along the circumference of the probe, and heat transfer coefficients on the leeward side of the probe are larger than that on the windward side of the probe. Heat transfer coefficients decrease with increasing of measurement height; heat transfer coefficients of the longitudinal probe are larger than that of the transverse probe. The proper secondary air injection and particle size of bed materials can generate a preferred hydrodynamics in the dense zone and enhance heat transfer in a HSFB.     

Analysis of phenomenological models describing the catalytic properties of high-temperature reusable coatings

The possibilities of using phenomenological models, constructed on the basis of the ideally-adsorbed Langmuir layer theory, to describe the catalytic properties of the heat shield coatings of reusable hypersonic vehicles are analyzed on the basis of a comparison of the calculated heat flows and the effective catalytic activity coefficients with full-scale and laboratory experimental data.Moscow. Translated from Izvestiya Rossiiskoi Akademii Nauk, Mekhanika Zhidkosti i Gaza, No. 6, pp. 133–144, November–December, 1996.     

Investigation of nonstationary heat transfer when a hot turbulent jet interacts with a shield

An experimental and theoretical investigation has been made of nonsteady heat transfer between a shield and a hot turbulent jet impinging normally on it. A system of dimensionless parameters is found for simulating the nonsteady interaction of high-temperature jets with shields. A system of thermocouples was used to measure the spatial and temporal distributions of the temperature in a gas above a shield, and also on the surface and within the shield. A numerical investigation was made of the nonsteady heat transfer in a shield with boundary condition specified in the form of the experimental temperature distribution of the front surface of the shield and with allowance for convective and radiative loss of heat from the other surfaces of the shield. The obtained solution is used to find the characteristics of nonsteady heat transfer (the coefficient of heat transfer and the Stanton number) on the front surface of the shield. These characteristics are used to solve the problem of periodic exposure of a shield to a heat flow produced by the switching on of a high-temperature jet.Translated from Izvestiya Akademii Nauk SSSR, Mekhanika Zhidkosti i Gaza, No. 2, pp. 130–138, March–April, 1979.     

Al/Mg波阻抗梯度材料加强型Whipple结构超高速撞击特性研究

波阻抗梯度材料加强型Whipple结构具有优异的防护性能。本文的目的是研究Al/Mg波阻抗梯度材料加强型Whipple结构在5.0 km/s撞击速度下的超高速撞击特性,以及除具有高阻抗的迎撞击面在弹丸中产生更高的冲击压力和温升外,影响波阻抗梯度材料防护性能的主要因素。本文中提出一种由铝合金表层和镁合金基底组成的面密度等效于1.5 mm厚铝合金的新型波阻抗梯度防护屏,采用二级轻气炮在5.0 km/s的撞击速度下对Al/Mg波阻抗梯度材料加强型和铝合金Whipple结构进行了初步超高速撞击对比实验,研究了超高速撞击防护屏穿孔、碎片云和后墙损伤特性。与铝合金防护结构相比,Al/Mg防护结构具有防护屏穿孔翻边更明显、后墙损伤较轻微、碎片云扩散半角大和撞击坑细化程度高4个主要特征。本文中开展了理论分析与计算,研究了冲击耦合过程、波传播特性和热力学状态等。结果表明:不受面密度影响,Al/Mg防护屏能改变冲击波在靶中的传播特征,使弹丸破碎程度更高,并且提升了防护屏中的内能转化率,具有优异的动能耗散特性。因此,与同等面密度的铝合金Whipple结构相比,Al/Mg结构具有更优异的防护性能。     

功能梯度材料热传导问题的近场动力学模型

当材料中存在不连续性缺陷的时候,传统的基于连续介质理论的方法在研究热传导问题时存在诸多不便．我们基于近场动力学方法(Peridynamics)建立了功能梯度材料的热传导模型,并且研究了在温度荷载作用下功能梯度材料的温度场的变化表现．该文概述了PD方法应用于热传导问题时的详细理论基础,描述了其建模思路以及计算体系,给出了使用PD方法模拟结构承受温度荷载时的计算格式,讨论了不同梯度形式对功能梯度材料内热传导的影响．算例结果表明：通过PD模型所得到的温度场与解析解吻合较好,证明了PD方法在分析功能梯度材料热传导行为等问题时的可行性．     

Analysis of the heterogeneous recombination of oxygen atoms on aluminum oxide by methods of quantum mechanics and classical dynamics

On the basis of the density-functional theory, cluster models of the adsorption of oxygen atoms on aluminum oxide are constructed and the corresponding potential-energy surface is calculated. Quantum-mechanical calculations showed that it is necessary to take into account the angular dependence of the potential-energy surface and the relaxation of the surface monolayers. Using this surface in molecular dynamics calculations made it possible to obtain the probabilities of the heterogeneous recombination of oxygen atoms on the α-Al₂O₃ surface, which are in good agreement with experimental data. The calculations performed substantially decrease the amount of experimental investigations necessary reliably to describe the heterogeneous catalysis on promising reusable heat shield coatings for analyzing heat transfer during spacecraft entry into the atmosphere.     

Heat propagation in a nonuniform rod of variable cross section

An integral formula is used to average a coupled problem of thermoelasticity for a nonuniform rod of variable cross section. Effective characteristics are found. It is shown that, in addition to the expected effective coefficients, there appear five independent coefficients characterizing the temperature change rate effect on the stresses in the rod, on the longitudinal heat flux, and on the entropy distribution along the length of the rod. A feature of these new coefficients is that they become equal to zero in the case of a uniform rod. The homogenization of the thermoelasticity equations for nonuniform rods allows one to propose a new theory of heat conduction in rods. This new theory differs from the classical one by the fact that some new terms are added to the Duhamel–Neumann law, to the Fourier heat conduction law, and to the entropy expression. These new terms are proportional to the temperature change rate with time. It is also shown that, in the new theory of heat conduction, the propagation velocity of harmonic heat perturbations is dependent on the oscillation frequency and is finite when the frequency tends to infinity.     

基于强度与稳定性的端头加固理论模型及敏感性分析

为确保盾构始发与到达的顺利进行,避免施工过程中发生端头土体失稳,引发地表沉陷、塌方等工程事故,基于土体强度与稳定性的基本理论,作者就如何确定端头土体纵向加固范围和建立砂土复合地层端头滑动模型进行了研究。在具体分析了现有端头加固理论模型的优缺点后,提出一种基于强度理论的荷载等效模型和基于稳定性理论的砂性土端头滑动模型。该端头加固理论模型,与已有的计算模型相比,更真实地反映了端头土体的受力状况,因而与工程实际情况更为接近,且具有地层适应性。同时,为了检验新强度理论模型的合理性,分别对新旧模型进行实例比算,并对2种模型的主要影响因素进行了敏感性分析。研究结果表明:当盾构隧道直径较小时,已有模型和新提出模型的计算结果误差较小,计算结果较为接近; 随着盾构隧道直径的不断增大,已有模型的荷载简化会引起较大的计算结果误差,如将其结果应用于工程,可能会引发较严重的工程事故; 对于大直径盾构,特别是盾构隧道直径大于10m时,建议采用本文提出的改进理论模型进行端头加固设计和验算,由此得出的加固范围更加符合工程实际情况,对工程有很强的指导意义。同时基于强度理论提出的荷载等效模型为非对称荷载问题的研究提出了一种新的研究方法和求解思路,对今后类似问题的求解具有较好的借鉴意义。     

Component desorption effect on the material catalyticity in high-temperature multicomponent gases

The distinctive features of the formation of the catalyticity of materials with respect to atom recombination on the material surface are investigated for mixtures of different high-temperature gases under conditions of hypersonic atmospheric flight or bench setups. It is shown that in general the catalyticity constants (heterogenous recombination probabilities) of individual components determined experimentally in dissociated flows of “pure” gases are improperly used for calculating the heat fluxes to material surfaces in multicomponent gas flows, owing to differences in the occupation of the surface by atoms in pure gases and mixtures. This effect must be taken into account in interpreting the experimental data which so far have been the only source of information on material catalyticity in gas mixtures. Otherwise, the results of calculations of the heat transfer to hypersonic flight vehicles could turn out to be invalid. Examples of the possible effect of ignoring this factor on the calculated heat fluxes are presented.     

ON PROBLEMS OF FRACTURE OF MATERIALS IN COMPRESSION ALONG TWO INTERNAL PARALLEL CRACKS

I.Relati0ns0fN0n-LinearThe0ryandDerivati0nofLinearizedRelati0nsinCoordinates0fN0n.DeformedStateNotationsareintroduced:x,-x'-Lagrangiancoordinateswhichinthenatural(non-def0rmed)statecoincidewithCartesiancoordinateswith0rthse,.Coordinatesx,willbeassumedtobe…     

Thermoelasto-viscous Materials

A thermoelasto-viscous material is defined by a set of constitutive laws in which the stress, entropy, heat flux and free energy are functions of the present configuration, temperature, temperature gradient and the rate of change of all three of these. Here these materials are presented within the framework of Walter Noll’s new theory of simple materials, so that the constitutive laws are specified without the use of a frame of reference. The Coleman-Noll procedure is carried out, and the symmetry group of the material is also discussed, both without using a frame of reference. It is then shown what form the constitutive laws of a fluid thermoelasto-viscous material take when a frame of reference is considered. Finally, the governing equations for these materials are explicitly obtained and discussed. The results in this paper may serve as a foundation for new and better mathematical models to deal with phenomena such as heat transfer, heat exchanges and thermophoresis.     

Heat transfer during heat sterilization and cooling processes of canned products

In this paper, an analysis of transient heat transfer during heat sterilization and cooling processes of a cylindrical canned product is presented. In the analysis, most practical case including the boundary condition of third kind (i.e., convection boundary condition, leading to 0.1 ≤ Bi ≤ 100) was employed. A simple analytical model for determining effective heat transfer coefficients for such products is developed. For the heat sterilization process, heating coefficient is incorporated into heat transfer coefficient model. An experimental study was performed to measure the thermal center temperatures of the short-cylindrical canned products (i.e., Tuna fish) during heat sterilization at the retort medium temperatures of 115^∘C and 121^∘C, and during cooling process at 16^∘C. The effective heat transfer coefficient model used the experimental temperature data. Using these effective heat transfer coefficients the center temperature distributions were calculated and compared with the experimental temperature distributions. Agreement was found considerably high. The results of the present study indicate that the heat-transfer analysis technique and heat-transfer coefficient model are reliable, and can provide accurate results for such problems. Received on 12 November 1997     

Determination of the body shape for minimum radiative heating along a flight trajectory

Space vehicles are subject to intense aerodynamic heating in planetary entry. According to estimates in [1], the heat shield mass for entry of a probe into the atmospheres of the outer planets can make up 20–50% of its total mass; here the radiative component predominates in the aerodynamic heating. It is therefore interesting to investigate methods of reducing the heat flux to the nose region of a vehicle. Analysis shows [2–6] that, for a given atmospheric composition, the heat-shield weight is determined by the trajectory, the body shape, the heat-protection method, and the chemical composition and the thermophysical and optical properties of the heat shield material. In such a general statement of the problem, optimization of the heat-shield mass depends on many parameters, and has not been solved hitherto. A number of papers have examined simpler problems, associated with reducing spacevehicle heating: optimization of the trajectory from the condition that the total heat flux to the body stagnation point should be a minimum for given probe parameters [2, 3], optimization of the characteristic probe size for a given trajectory [2–4], and optimization of the probe shape in a class of conical bodies at a given trajectory point [3, 5, 6J. In [7] a variational problem was formulated to determine the shape of an axisymmetric body from the condition that the radiative heat flux to the body at a given trajectory point should be a minimum for the entire surface, and an analytical solution was found for this in limiting cases. The present paper investigates a more general variational problem: determination of the shape of an axisymmetric body from the condition that the total radiative influx of heat to the body along its atmospheric trajectory should be a minimum. A solution has been obtained for a class of slender bodies for different isoperimetric conditions.Translated from Izvestiya Akademii Nauk SSSR, Mekhanika Zhidkosti i Gaza, No. 2, pp. 94–100, March–April, 1978.