Exceptional activity of mesoporous beta-MnO2 in the catalytic thermal sensitization of ammonium perchlorate

Mesoporous beta-MnO2 has been prepared, characterized and demonstrated to possess excellent catalytic activity in the thermal decomposition of ammonium perchlorate. The observed unprecedentedly low decomposition temperatures, fast reaction rates and enhanced heat releases in the catalysed formulations make mesoporous beta-MnO2 promising as a high-performing ballistic modifier in AP-based composite solid rocket propellants.

Numerical prediction of nozzle flow separation: Issue of turbulence modeling

Numerical simulation of separated flows in rocket nozzles is challenging because existing turbulence models are unable to predict it correctly. This paper addresses this issue with the Spalart-Allmaras and Shear Stress Transport (SST) eddy-viscosity models, which predict flow separation with moderate success. Their performances have been compared against experimental data for a conical and two contoured subscale nozzles. It is found that they fail to predict the separation location correctly, exhibiting sensitivity to the nozzle pressure ratio (NPR) and nozzle type. A careful assessment indicated how the model had to be tuned for better, consistent prediction. It is learnt that SST model's failure is caused by limiting of the shear stress inside boundary layer according to Bradshaw's assumption, and by over prediction of jet spreading rate. Accordingly, SST's coefficients were empirically modified to match the experimental wall pressure data. Results confirm that accurate RANS prediction of separation depends on the correct capture of the jet spreading rate, and that it is feasible over a wide range of NPRs by modified values of the diffusion coefficients in the turbulence model. (C) 2015 Elsevier Masson SAS. All rights reserved.

固体火箭发动机柔性接头弹性件力学性能研究

针对固体火箭发动机柔性接头中的橡胶材料，研究了在进行这种橡胶结构有限元计算中橡胶材料的力学行为的表征。进行了单轴拉伸与简单剪切材料力学性能试验，根据不同材料模型对试验曲线进行了拟合，并用MSC／Marc软件模拟了超弹性材料的单轴拉伸与简单剪切变形过程。结果表明：采用单轴拉伸试验数据预测材料剪切性能会造成明显误差，而简单剪切试验得到的模型可以比较准确描述材料的拉伸和剪切变形，针对柔性接头这种以剪切变形为主的结构，应选取剪切试验数据；当应变大于150％时，不同材料模型与试验数据的选用范围对计算结果具有明显影响。

The scientific project of the small satellite of china

The efforts involved in developing a small satellite for scientific purposes in China in recent years are introduced in the present paper. The project is arranged on a case to case principle depending upon requirements and financial support. The space technology of a satellite and rockets, which have been developed over a relatively longer period in China, have been transferred to the scientific research of small satellites for improvement of the quality requirements. The surplus payloads of the rocket and satellite are used as the payloads of the small satellite and scientific experiments at a low cost. As an example, the project of balloon satellites for atmospheric research was successfully completed in 1991. The experience of the project management is of great benefit for further organization and arrangement of other projects. Opportunities exist for surplus payloads to be used in the future, and a small satellite for magnetospheric research will be launched in 1993.

火箭增程乘波外形导弹弹道特性研究

基于椭圆锥相交流场，采用非轴对称设计方法生成了一种带火箭增程的乘波外形高超声速导弹，并在给定攻角条件下对乘波外形导弹的弹道进行了仿真。仿真结果表明：导弹的飞行轨迹为波浪形；在满足热防护的条件下，给定乘波外形和初始滑翔速度的导弹存在一个较优的初始滑翔高度；导弹自带增程火箭的点火时间越早，其飞行距离越远。

模拟火箭引射混合特性的实验研究

专门设计了可用于研究箭基组合循环发动机（RBCC）在起动阶段（Ma= 0）所使用的引射火箭性能的实验装置。作为初步试验，研究了不同工况的引射热喷流（一次流）和被引射空气（二次流）之间混合的演 变、发展过程，找出不同来流条析下影响引射性能的主要参数，为最终探明引射火箭的最佳工作条件打下基础，同时根据试验结果提出了促进一、二次流混合的可行方案，便 于下一步深入研究。

应用于固体火箭发动机喷管出口羽流温度测量的光学辐射高温计

利用辐射光谱测量温度的原理,设计并制造了一种新型的非接触式光学辐射高温计.详细介绍该温度计的基本原理和标定方法,并将该温度计应用于火箭发动机喷管出口羽流的温度测量中,初步的实验结果和数值模拟结果相一致.

火箭剩余推进剂排放过程的分析与模拟

为了减少空间碎片的产生，星箭分离后，需要在轨排放火箭末级贮箱内的剩余推进剂．分析表明，排放条件下的推进剂射流进入太空后，立即失稳破碎为大量液滴；液滴在高真空环境下扩散，它们的表面不断有气体分子蒸发，逐渐在箭体周围形成了一个由液滴和蒸气分子组成的羽流场．采取Lagrange方法追踪该流场中每个液滴的运动轨迹以及表面蒸发冷凝过程，利用直接模拟Monte Carlo方法计算蒸气分子的运动和碰撞，然后通过微观量的统计平均获得感兴趣的宏观流场、箭体表面的压力和剪应力分布等．为了检验稀薄蒸气算法、模型和程序，模拟了真空水射流周围水蒸气羽流场，获得的径向Pitot压力分布与Fuchs和Legge的实验数据的符合．在此基础上，分别模拟了CZ-4B火箭末级剩余燃料偏二甲肼在不同排放方式下的三维稀薄蒸气与液滴羽流场．计算表明：原排放方式的扰动力矩相当大，超出了火箭姿控范围，新排放方式的扰动力矩很小，处于火箭姿控范围之内．这些预测得到了飞行遥测数据的支持．

Role of G protein coupled inwardly rectifier K+ channels (GIRK) on the neurobiology depression

353 págs.

Heat Transfer of Aviation Kerosene at Supercritical Conditions

The heat transfer characteristics of China no. 3 kerosene were investigated experimentally and analytically under conditions relevant to a regenerative cooling system for scramjet applications. A test facility developed for the present study can handle kerosene in a temperature range of 300-1000 K, a pressure range of 2.6-5 MPa, and a mass How rate range of 10-100 g/s. In addition, the test section was uniquely designed such that both the wall temperature and the bulk fuel temperature were measured at the same location along the flowpath. The measured temperature distributions were then used to analytically deduce the local heat transfer characteristics. A 10-component kerosene surrogate was proposed and employed to calculate the fuel thermodynamic and transport properties that were required in the heat transfer analysis. Results revealed drastic changes in the fuel flow properties and heat transfer characteristics when kerosene approached its critical state. Convective heat transfer enhancement was also found as kerosene became supercritical. The heat transfer correlation in the relatively low-fuel-temperature region yielded a similar result to other commonly used jet fuels, such as JP-7 and JP-8, at compressed liquid states. In the high-fuel-temperature region, near and beyond the critical temperature, heat transfer enhancement was observed; hence, the associated correlation showed a more significant Reynolds number dependency.

固体火箭发动机喷管气固两相流动的数值模拟

对颗粒相采用颗粒轨道模型,气相求解可压缩N-S方程组,计算方法采用显式Runge-Kutta时间推进法与有总变差衰减(TVD)性质的高精度MUSCL-Roe格式;自主开发了曲线坐标系下二维轴对称可压缩N-S方程组的解算器Solve2D,研究了固体火箭发动机喷管中颗粒相对流场的影响以及不同尺寸颗粒运动规律.结果表明:颗粒相对流场的影响主要表现在喷管喉部以及扩张段,和单相流场相比,沿轴线马赫数减小,且颗粒尺寸越小减少得越多;沿轴线气相温度升高,且颗粒尺寸越小温度升高越多;颗粒尺寸越小,无粒子区越小;颗粒越大与收缩段壁面碰撞越剧烈,无粒子区越大.

First principles based multiparadigm modeling of electronic structures and dynamics

Electronic structures and dynamics are the key to linking the material composition and structure to functionality and performance.

An essential issue in developing semiconductor devices for photovoltaics is to design materials with optimal band gaps and relative positioning of band levels. Approximate DFT methods have been justified to predict band gaps from KS/GKS eigenvalues, but the accuracy is decisively dependent on the choice of XC functionals. We show here for CuInSe₂ and CuGaSe₂, the parent compounds of the promising CIGS solar cells, conventional LDA and GGA obtain gaps of 0.0-0.01 and 0.02-0.24 eV (versus experimental values of 1.04 and 1.67 eV), while the historically first global hybrid functional, B3PW91, is surprisingly the best, with band gaps of 1.07 and 1.58 eV. Furthermore, we show that for 27 related binary and ternary semiconductors, B3PW91 predicts gaps with a MAD of only 0.09 eV, which is substantially better than all modern hybrid functionals, including B3LYP (MAD of 0.19 eV) and screened hybrid functional HSE06 (MAD of 0.18 eV).

The laboratory performance of CIGS solar cells (> 20% efficiency) makes them promising candidate photovoltaic devices. However, there remains little understanding of how defects at the CIGS/CdS interface affect the band offsets and interfacial energies, and hence the performance of manufactured devices. To determine these relationships, we use the B3PW91 hybrid functional of DFT with the AEP method that we validate to provide very accurate descriptions of both band gaps and band offsets. This confirms the weak dependence of band offsets on surface orientation observed experimentally. We predict that the CBO of perfect CuInSe₂/CdS interface is large, 0.79 eV, which would dramatically degrade performance. Moreover we show that band gap widening induced by Ga adjusts only the VBO, and we find that Cd impurities do not significantly affect the CBO. Thus we show that Cu vacancies at the interface play the key role in enabling the tunability of CBO. We predict that Na further improves the CBO through electrostatically elevating the valence levels to decrease the CBO, explaining the observed essential role of Na for high performance. Moreover we find that K leads to a dramatic decrease in the CBO to 0.05 eV, much better than Na. We suggest that the efficiency of CIGS devices might be improved substantially by tuning the ratio of Na to K, with the improved phase stability of Na balancing phase instability from K. All these defects reduce interfacial stability slightly, but not significantly.

A number of exotic structures have been formed through high pressure chemistry, but applications have been hindered by difficulties in recovering the high pressure phase to ambient conditions (i.e., one atmosphere and room temperature). Here we use dispersion-corrected DFT (PBE-ulg flavor) to predict that above 60 GPa the most stable form of N₂O (the laughing gas in its molecular form) is a 1D polymer with an all-nitrogen backbone analogous to cis-polyacetylene in which alternate N are bonded (ionic covalent) to O. The analogous trans-polymer is only 0.03-0.10 eV/molecular unit less stable. Upon relaxation to ambient conditions both polymers relax below 14 GPa to the same stable non-planar trans-polymer, accompanied by possible electronic structure transitions. The predicted phonon spectrum and dissociation kinetics validate the stability of this trans-poly-NNO at ambient conditions, which has potential applications as a new type of conducting polymer with all-nitrogen chains and as a high-energy oxidizer for rocket propulsion. This work illustrates in silico materials discovery particularly in the realm of extreme conditions.

Modeling non-adiabatic electron dynamics has been a long-standing challenge for computational chemistry and materials science, and the eFF method presents a cost-efficient alternative. However, due to the deficiency of FSG representation, eFF is limited to low-Z elements with electrons of predominant s-character. To overcome this, we introduce a formal set of ECP extensions that enable accurate description of p-block elements. The extensions consist of a model representing the core electrons with the nucleus as a single pseudo particle represented by FSG, interacting with valence electrons through ECPs. We demonstrate and validate the ECP extensions for complex bonding structures, geometries, and energetics of systems with p-block character (C, O, Al, Si) and apply them to study materials under extreme mechanical loading conditions.

Despite its success, the eFF framework has some limitations, originated from both the design of Pauli potentials and the FSG representation. To overcome these, we develop a new framework of two-level hierarchy that is a more rigorous and accurate successor to the eFF method. The fundamental level, GHA-QM, is based on a new set of Pauli potentials that renders exact QM level of accuracy for any FSG represented electron systems. To achieve this, we start with using exactly derived energy expressions for the same spin electron pair, and fitting a simple functional form, inspired by DFT, against open singlet electron pair curves (H₂ systems). Symmetric and asymmetric scaling factors are then introduced at this level to recover the QM total energies of multiple electron pair systems from the sum of local interactions. To complement the imperfect FSG representation, the AMPERE extension is implemented, and aims at embedding the interactions associated with both the cusp condition and explicit nodal structures. The whole GHA-QM+AMPERE framework is tested on H element, and the preliminary results are promising.

An investigation of a method of underwater propulsion by direct gas injection

This report presents the results of an investigation of a method of underwater propulsion. The propelling system utilizes the energy of a small mass of expanding gas to accelerate the flow of a large mass of water through an open ended duct of proper shape and dimensions to obtain a resultant thrust. The investigation was limited to making a large number of runs on a hydroduct of arbitrary design, varying between wide limits the water flow and gas flow through the device, and measuring the net thrust caused by the introduction and expansion of the gas.

In comparison with the effective exhaust velocity of about 6,000 feet per second observed in rocket motors, this hydroduct model attained a maximum effective exhaust velocity of more than 27,000 feet per second, using nitrogen gas. Using hydrogen gas, effective exhaust velocities of 146,000 feet per second were obtained. Further investigation should prove this method of propulsion not only to be practical but very efficient.

This investigation was conducted at Project No. 1, Guggenheim Aeronautical Laboratory, California Institute of Technology, Pasadena, California.

Step synchronization and third person speed perception in virtual environment locomotion simulators

Human locomotion is known to be influenced by observation of another person's gait. For example, athletes often synchronize their step in long distance races. However, how interaction with a virtual runner affects the gait of a real runner has not been studied. We investigated this by creating an illusion of running behind a virtual model (VM) using a treadmill and large screen virtual environment showing a video of a VM. We looked at step synchronization between the real and virtual runner and at the role of the step frequency (SF) in the real runner's perception of VM speed. We found that subjects match VM SF when asked to match VM speed with their own (Figure 1). This indicates step synchronization may be a strategy of speed matching or speed perception. Subjects chose higher speeds when VMSF was higher (though VM was 12km/h in all videos). This effect was more pronounced when the speed estimate was rated verbally while standing still. (Figure 2). This may due to correlated physical activity affecting the perception of VM speed [Jacobs et al. 2005]; or step synchronization altering the subjects' perception of self speed [Durgin et al. 2007]. Our findings indicate that third person activity in a collaborative virtual locomotive environment can have a pronounced effect on an observer's gait activity and their perceptual judgments of the activity of others: the SF of others (virtual or real) can potentially influence one's perception of self speed and lead to changes in speed and SF. A better understanding of the underlying mechanisms would support the design of more compelling virtual trainers and may be instructive for competitive athletics in the real world. © 2009 ACM.

Structure of cryogenic flames at elevated pressures

This paper presents new experimental results on cryogenic jet flames formed by a coaxial injector at a pressure of 70 bar, which approaches the pressures found in rocket engines. This element, fed with liquid oxygen and gaseous hydrogen, is placed in a square combustion chamber equipped with quartz windows. The flame is examined via spectroscopy, OH* emission, and backlighting, the aim being to provide basic information on the flame structure. It is found that some of the OH* emission is absorbed by the OH radicals present in the flame. A detailed examination of this effect is presented, in which it is shown that, for this turbulent flame, the Abel transform gives the position of the intense reaction region, whether or not absorption is signficant. The flame is attached to the oxygen injector, as at low pressure. At high pressure, flame expansion is reduced compared with low pressure and is also less dependent on the momentum flux ratio between the hydrogen and the oxygen streams. An analysis of the relevant Damköhler numbers suggests that this is because the rate of combustion is mainly controlled by large-scale turbulent mixing at high pressure, and it is dominated by jet break-up, atomization, and vaporization at low pressures. Jet break-up is particularly dependent on the momentum flux ratio. Finally, the mean volumetric heat release rates and flame surface density in the experimental facility are estimated.