Calculating detonation performance of explosives by VLWR thermodynamics code introduced with universal VINET equation of state

Thermodynamic calculation is the theoretical basis for the study of initiation and detonation,as well as the prerequisite for forecasting the detonation performance of unknown explosives.Based on the VLWR(Virial-Wu)thermodynamic code,this paper introduced the universal solid equation of state(EOS)VINET.In order to truly reflect the compressibility of nanocarbon under the extremely high-temperature and high-pressure environment in detonation,an SVM(support vector machine)was utilized to optimize the input parameters of carbon.The detonation performance of several explosives with different densities was calculated by the optimized universal EOS,and the results show that the thermodynamic code coupled with the universal solid EOS VINET can predict the detonation performance parameters of explosives well.To investigate the application of the thermodynamic code with the improved VINET EOS in the working capacity of explosives,the interrelationship between pressure P-particle velocity u and pressure P-volume V were computed for the detonation products of TNT and HMX-based PBX(HMX:binder:insensitive agent=95:4.3:0.7)in the CJ isentropic state.A universal curve proposed by Cooper was used to compared the computed isentropic state,where the ratio of pressure to CJ state were plotted against the ratio of velocity to CJ state.The parameters of the JWL(Jones-Wilkins-Lee)EOS for detonation products were obtained by fitting the P-V curve.The cylinder tests of TNT and HMX-based PBX were numerically simulated using the LS-DYNA,it is verified that,within a certain range,the improved algorithm has superiority in describing the working capacity of explosives.

Modeling and simulation of JWL equation of state for reactive Al/PTFE mixture

An analytical method is presented to fit parameters of Jones-Wilkins-Lee （JWL） equation of state （EOS） for the chemical process of aluminum-polytetrafluoroethylene （ AI/PTFE ） mixture. Subroutine codes for both strength model and EOS were developed in explicit-FE code AUTODYN. Firstly, the shock Hugoniot data of reactive A1/PTFE mixture was analytically derived by implemen- ting this methodology. The JWL EOS was verified to fit shock Hugoniot data of both reacted and un- reacted A1/PTFE mixture, which gives reasonable results. Furthermore, to numerically ascertain the reaction phases of ignition and growth and quasi detonation of A1/PTFE mixture, characterized ex- periment was setup to validate the reaction phases and coefficients of JWL EOS for A1/PTFE mix- ture. From the test, a promising example of reactive mixture A1/PTFE is capable to enhance lethality of weapons, the status computation in clude quasi-detonation pressure and temperature of A1/PTFE mixture in different chemical reaction phases is validated.

Derivation of Martin-Hou Equation of State from Hard-particle Perturbation Theory

In this paper, the Martin-Hou equation of state is derived by using a power series representation of radial distribution function and an analytic representation of multi-section potential based on the Barker-Henderson hard-particle perturbation theory including high-order terms. In the derivation, a theoretical form of Martin-Hou equation was obtained. It had a similar form and the same capability to predict P-V-T properties as the Martin-Hou equation and no additional data were required for evaluating the constants. The characteristic constants of the theoretical expression have certain relationships with the molecular parameters.

Prediction of Critical Endpoints Based on the PR Equation of State

In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.

A four parameter cubic equation of state with temperature dependent covolume parameter

A four-parameter, Ghoderao–Dalvi–Narayan 2 cubic equation of state(GDN2 CEOS), is presented which incorporates the following: 1. The experimental value of the critical compressibility factor has been used as a fixed input parameter for calculations;2. All the parameters(a, b, c, d) of CEOS are temperature dependent functions in the subcritical region and are temperature independent functions in the supercritical region and;3. A new α function is introduced with two compound specific parameters which are estimated by matching saturated vapor pressure at two fixed temperature points Tr= 0.5, 0.7. Our formalism enables us to cast three of the four parameters of the CEOS as a function of the remaining parameter. The proposed CEOS is used to predict properties of 334 pure compounds, including saturated vapor pressure and liquid density, compressed liquid density, heat capacities at the constant pressure and volume, enthalpy of vaporization, sound velocity. To calculate thermodynamic properties of a pure compound, the present CEOS require the critical temperature, the critical pressure, the Pitzer’s acentric factor, the critical compressibility factor, and two parameters of the alpha function. The saturated liquid density predictions for pure fluids are very accurate when compared with GDN1(Ghoderao–Dalvi–Narayan 1),MPR(Modified Peng–Robinson), and PT(Patel–Teja) equations of state. Unlike MPR EOS, the proposed temperature dependent covolume parameter b in the present work satisfies all the constraints mentioned in the literature to avoid thermodynamic inconsistencies at the extreme temperature and pressure. Using van der Waals one-fluid mixing rule, the present CEOS is further used to predict bubble pressure and the vapor mole fraction of binary mixtures.

VLW equation of state of detonation products

Based on the virial theory, we proposed VLW equation of state of detonation products (VLW EOS). Its basic theory and applications were described. The distinct features of the VLW EOS were:First, the detonation performance of the new high energy density materials could be predicted more reliably. Second, it had extensive application. The detonation parameters of both the condensed high energy density materials and the gaseous fuel air explosives could be calculated. Moreover, combustion performance of propellants could also be precisely calculated. The calculation results were satisfactory.

Study on the prediction and inverse prediction of detonation properties based on deep learning

The accurate and efficient prediction of explosive detonation properties has important engineering significance for weapon design.Traditional methods for predicting detonation performance include empirical formulas,equations of state,and quantum chemical calculation methods.In recent years,with the development of computer performance and deep learning methods,researchers have begun to apply deep learning methods to the prediction of explosive detonation performance.The deep learning method has the advantage of simple and rapid prediction of explosive detonation properties.However,some problems remain in the study of detonation properties based on deep learning.For example,there are few studies on the prediction of mixed explosives,on the prediction of the parameters of the equation of state of explosives,and on the application of explosive properties to predict the formulation of explosives.Based on an artificial neural network model and a one-dimensional convolutional neural network model,three improved deep learning models were established in this work with the aim of solving these problems.The training data for these models,called the detonation parameters prediction model,JWL equation of state(EOS)prediction model,and inverse prediction model,was obtained through the KHT thermochemical code.After training,the model was tested for overfitting using the validation-set test.Through the model-accuracy test,the prediction accuracy of the model for real explosive formulations was tested by comparing the predicted value with the reference value.The results show that the model errors were within 10%and 3%for the prediction of detonation pressure and detonation velocity,respectively.The accuracy refers to the prediction of tested explosive formulations which consist of TNT,RDX and HMX.For the prediction of the equation of state for explosives,the correlation coefficient between the prediction and the reference curves was above 0.99.For the prediction of the inverse prediction model,the prediction error of the explosive equation was within 9%.This indicates that the models have utility in engineering.

A theoretical form of the Martin-Hou equation of state

A new equation of state is derived from the Barker-Henderson hard-sphere perturbation theory. It has the form similar to the Martin-Hou equation of state. The numerical values of the characteristic constants in the equation can be calculatrd by the method of Martin and Hou. The equation can he used to predictP-V-T properties accurately for fluids when the critical parameters (Tc,Pc, and Vc) and one point on the vapor pressure cure are given. By using the functional relationships between the characteristic constants and the microscopic parameters, the molecular microscopic parameters of the substance can be obtained.

A Stochastic Extension of Macroscopic Stability Criterion of Nonequilibrium Steady State in Chemical Reaction Systems Governed by Master Equation

By means of both the separation of the perturbation in accordance with characteristic parnmeters and the Kramers Moyal-expansion of the master equation, it is shown that the time derivative of the partial excess quantity of stochastic entropy due to the deviation from the most probable path is related to the responsibility of a system to the external macroscopic perturbations. This evolution rate of the partial excess stochastic entropy is equivalent to the partlal excess stochastic entropy production, as well as the stochastic excess entropy production rate based on the stochastic potential npproach. It appears also as an eqivalent quantity of the Gibbs excess entropy production for the Polsson distribution. The macroscopic stability of chemical reaction systems is dominnted by this new stochastic quantity when the local equilibrium thermodynamics is broken down .

Numerical computation algorithm of explosion equations and thermodynamics parameters of mine explosives

A new numerical algorithm is presented to simulate the explosion reaction process of mine explosives based on the equation of state, the equation of mass conservation and thermodynamics balance equation of explosion products. With the affection of reversible reaction of explosion products to explosion reaction equations and thermodynamics parameters considered, the computer program has been developed. The computation values show that computer simulation results are identical with the testing ones.

Verification and validation of detonation modeling

The mathematical model used to describe the detonation multi-physics phenomenon is usually given by highly coupled nonlinear partial differential equations. Numerical simulation and the computer aided engineering (CAE) technique has become the third pillar of detonation research, along with theory and experiment, due to the detonation phenomenon is difficult to explain by the theoretical analysis, and the cost required to accredit the reliability of detonation products is very high, even some physical experiments of detonation are impossible. The numerical simulation technique can solve these complex problems in the real situation repeatedly and reduce the design cost and time stunningly. But the reliability of numerical simulation software and the serviceability of the computational result seriously hinders the extension, application and the self-restoration of the simulation software, restricts its independently innovational ability. This article deals with the physical modeling, numerical simulation, and software development of detonation in a unified way. Verification and validation and uncertainty quantification (V&V&UQ) is an important approach in ensuring the credibility of the modeling and simulation of detonation. V&V of detonation is based on our independently developed detonation multiphysics software-LAD2D. We propose the verification method based on mathematical theory and program function as well as availability of its program execution. Validation is executed by comparing with the experiment data. At last, we propose the future prospect of numerical simulation software and the CAE technique, and we also pay attention to the research direction of V&V&UQ.

Influence of Accelerated Aging on Detonation Performance of Explosives

To understand the aging effects on detonation performances of explosives,an accelerated aging mechanism and effect of explosives were analyzed.Based on the thermo-gravimetric(TG) curves of explosives under the heat rate of 5,10 and 20 K·min-1,the thermal decomposition activation energy,pre-exponential factor,mechanism function and kinetic equation of the explosives were calculated by Ozawa's equation and decomposition extents.Then,according to the derived kinetic equation,the density,composition and heat of formation of GI-1,PBX-1 and PBX-2 explosive in different decomposition extents were calculated at accelerated aging temperatures of 70 ℃ and 75 ℃,respectively.Furthermore,the detonation parameters of GI-1,PBX-1 and PBX-2 explosives were found out by means of VLWR code.The results show that after accelerated aging,the density are decrease,the detonation velocity and pressure are all decreased slightly.

基于FWD弯沉盆参数的沥青路面层间接触状态识别方法及耐久性评估

层间黏结接触状态是决定沥青路面多层复合结构整体性的关键因素之一,层间状态的改变会显著的影响各结构层的力学响应。应用落锤式弯沉仪(falling weight deflectormeter,FWD)无损检测技术研究基于弯沉盆参数的沥青路面层间接触状态识别方法。依托京沪高速公路改扩建工程,建立路面结构三维动力有限元模型,分析不同基-面层间接触状态下各类FWD弯沉盆参数与基层、面层应力的相关性排序,构建综合反映基-面层受力特性的FWD弯沉盆指标DD_(1)/DD_(2)(DD_(1)=D_(0)-D_(20),DD_(2)=D_(20)-D_(60),其中D_(0)、D_(20)和D_(60)分别代表距离荷载中心处0、20、60 cm的弯沉值),回归分析表明:其与基-面层层间摩擦系数具有良好的乘幂关系;进而结合现场芯样的疲劳方程和有限元模拟分析结果,推导出在满足沥青面层使用期寿命的前提下层间摩擦系数的最低要求,在此基础上对既有路面耐久性进行评估,结果与实际吻合。本文方法为后续基于FWD推算层间摩擦系数、评估路面疲劳耐久性提供了新的途径和理论依据。

CO_(2)状态方程适应性对比研究

气体状态方程被广泛应用于计算CO_(2)的各项物性参数,但CO_(2)物性参数对温度和压力较敏感,不同状态方程计算的结果有偏差。针对目前常用的状态方程开展适应性研究,基于不同温度和压力条件下CO_(2)物性参数实验值对比分析了不同状态方程的计算结果。结果表明:1)GERG对CO_(2)密度及压缩因子具有较高的计算精度。计算CO_(2)密度时蒸汽区平均相对偏差小于0.5%,气相区小于1%;2)SW方程计算CO_(2)定压比热的平均相对偏差为0.29%,计算焦汤系数的平均相对偏差为0.87%;3)Fenghour法计算的黏度最大相对偏差不超过0.5%,平均相对偏差为0.34%,计算结果误差较小;4)V-W法对CO_(2)导热系数的计算结果与实验值较吻合,其平均相对偏差仅为1.24%。研究结果为油气田开发过程中涉及的CO_(2)物性参数计算提供了一定的参考依据。

一种新爆轰产物状态方程及其在炸药爆轰性能预测上的应用

为准确描述爆轰产物在高温高压下的热力学关系,拓展应用范围,实现CHNO单质/混合炸药与含能金属盐爆轰性能的可靠预测,基于Exp⁃6势的维里系数理论值建立了新气态爆轰产物状态方程Virial⁃Peng⁃Long(VPL),并基于更准确的“冷压”项与考虑金属高压热运动变化的“晶格振动”项建立了新凝聚态金属产物三项式状态方程Wu⁃Chen⁃Peng(WCP)。应用VPL计算了几种典型CHNO单质/混合炸药的爆轰参数,应用VPL与WCP评价了几种典型含能金属盐的爆轰CJ参数与驱动做功能力。结果表明,相比VLW和BKW,基于VPL能够更准确评价CHNO单质/混合炸药的爆轰性能,对太安(PETN)爆速预测偏差在±2.1%以内,最高不超过2.5%;对RHT⁃901驱动圆筒稳定速度预测误差绝对值<1%。而VPL与WCP能够准确预测含能金属盐爆轰性能,其中对叠氮化铅爆轰CJ参数计算相对误差不超过±4%;对铜叠氮化物驱动飞片速度预测相对误差绝对值小于1%。

离心–气压系统基于SDRE的最优保性能鲁棒控制

针对离心–气压系统,本文提出基于状态相关黎卡提方程(SDRE)的最优保性能鲁棒控制方案,实现高精度、高稳定性的气压控制.针对气压系统中存在的参数不确定性及参数未知且与状态相关的问题,首先采用自适应参数估计方法对系统未知参数进行估计,保证参数估计误差的快速收敛.基于参数估计的结果,设计了最优保性能鲁棒控制器,该控制器在参数不确定性存在的情况下仍能保证系统性能指标达到一确定的上界.然而,由于新的黎卡提方程是与状态相关的,不易求得解析解,因此,通过泰勒级数法离线逼近SDRE的最优解.所提出的控制方案不但具有较强的鲁棒性,并且具有快速、无超调、易于应用等优点.最后,仿真分析和实验结果也验证了所设计的控制方案可以实现气压范围为1-100 kPa,随动误差低于10 Pa的高精度跟踪控制.

基于VLW状态方程的氢氟爆轰参数理论分析及数值模拟研究

氟气是具有强氧化性的气体,与氢气会发生剧烈的化学反应,为了得到氢氟爆轰的爆轰参数,基于VLW状态方程与爆轰理论对氟气与氢气在标准状况预混条件下爆轰性能进行了理论计算,当氢气与氟气的摩尔比为1∶1时,计算得到爆压为15.31 MPa,爆温为6 479 K。利用materials studio与CP/2K分子动力学模拟计算了氢与氟的反应,对现有氢氟反应机理进行了完善。最后通过FLUENT流体动力学仿真软件对摩尔比为1∶1时的氢氟爆轰进行了仿真计算,因爆轰波在管道内多次叠加,所以计算出超压可达46 MPa,高于理论爆压值的15.31 MPa;管道内计算出的温度可达6 800 K,与理论爆温值相差4.6%,对研究氢氟爆轰条件与能量释放规律具有一定借鉴意义。

临界喷嘴在真空泵抽速测试及计量中研究和应用

真空泵抽速测量有多种方法,其准确度受到方法、仪表精度等影响。其中定流量法作为其中一种方式,其建立在一元可压缩流体理论基础上。文章结合一元可压缩流体基础理论与现有测试方法,提出将喷嘴临界状态作为定流量法测量基础。通过喷嘴临界状态的出现以及临界值计算,作为真空泵流量的测量方法基准数值,测量过程中只需要测定环境参数就可以测定真空泵流量,进而计算真空泵在某规定压力下的抽速。该测量方法装置和过程简单,容易操作,外界因素影响自然降低到最低,是一种可靠、绿色测量方法。抽速作为真空泵最重要参量,数字化、智能化测量是发展方向,准确的抽速测定是真空泵及系统优化的依据,将推动真空技术发展。

The effects of strong magnetic fields on neutron star structure:lowest order constrained variational calculations

We investigate the effects of strong magnetic fields upon the large-scale properties of neutron and protoneutron stars. In our calculations, the neutron star mat- ter was approximated by pure neutron matter. Using the lowest order constrained vari- ational approach at zero and finite temperatures, and employing AV18 potential, we present the effects of strong magnetic fields on the gravitational mass, radius, and gravitational redshift of neutron and protoneutron stars. It is found that the equation of state for a neutron star becomes stiffer with an increase of magnetic field and tem- perature. This leads to larger values of the maximum mass and radius for the neutron stars.

Maximum mass of a hot neutron star with a quark core

We have considered a hot neutron star with a quark core, a mixed phase of quark-hadron matter, and a hadronic matter crust and have determined the equation of state of the hadronic phase and the quark phase. We have then found the equation of state of the mixed phase under the Gibbs conditions. Finally, we have computed the structure of a hot neutron star with a quark core and compared our results with those of the neutron star without a quark core. For the quark matter calculations, we have used the MIT bag model in which the total energy of the system is considered as the kinetic energy of the particles plus a bag constant. For the hadronic matter calculations, we have used the lowest order constrained variational formalism. Our calculations show that the results for the maximum gravitational mass of a hot neutron star with a quark core are substantially different from those of a neutron star without the quark core.