Can enantiomorphic crystals like quartz play a role in the origin of homochirality on earth?

This communication reviews the possible actions of enantiomorphic crystals on the surface of Earth as sources of homochirality of organic compounds. The discovery of asymmetric adsorption and asymmetric catalysis involving optically active quartz crystals has led some authors to conclude that this source of asymmetry played an important role as a source of homochirality in nature, a concept that later proved erroneous. Moreover, data regarding the preponderance in nature of l-quartz crystals have been used to confirm calculations of the parity violation energy difference (PVED) for l-quartz and, hence, to explain the prevalence of L-amino acids and D-sugars in living matter. As discussed here, quartz and other enantiomorphs such as sodium chlorate can produce chiral intermediates active in autocatalytical processes. Our most recent compilation of the literature, however, reveals that the distribution of d- and l-quartz crystals at the surface of the Earth when all possible locations are included is quite random. Although quartz can serve as an effective asymmetric inductor in autocatalytic processes, it cannot be the source of homochirality of living matter because of the random occurrence of the two types of enantiomorphs. The calculations of PVED values for quartz therefore lack a sound physical basis.     

低能质子辐照下F46/Ag光学性能退化及损伤模型

利用空间综合辐照环境模拟器对F46/Ag二次表面镜进行低能质子辐照试验,发现30 keV质子辐照会导致F46/Ag的光学性能发生显著退化,波长为350 nm处的光谱反射率变化值随累积辐照通量呈指数关系增加,太阳吸收比变化值随累积辐照通量线性增加。通过Monte Carlo模拟计算得到不同深度电离能损和位移能损的分布,发现质子辐照F46/Ag主要通过电离进行能量的传递。当质子能量为30 keV时,F46表面获得质子传递能量的最大值。量子化学计算结果表明30 keV质子辐照F46/Ag时材料表面C—F键和C—C键断裂所需吸收的能量远小于质子传递给F46表面的能量。XPS分析表明质子辐照后材料表层发生了一系列断键和重组反应,生成了自由基和分子片段,表面发生脱氟和碳富集,与量子化学计算结果相吻合。     

导弹机动突防滑模制导律

为了得到一种用于导弹机动突防的制导律,我们在制导律设计中令视线角速率跟踪正弦有界震荡信号.在导弹机动突防过程中,导弹自动驾驶仪的惯性滞后会影响制导精度.我们利用递推李雅普诺夫设计方法推导出了一种考虑自动驾驶仪惯性的运动跟踪滑模制导律,它可以令视线角速率跟踪给定的指令信号.仿真结果表明,这种制导律可以令导弹机动突防成功的概率提高到89%,而且在自动驾驶仪滞后情况下的制导精度很高,脱靶量仅有0.3mm.     

镁合金带连接分离装置解锁过程与预估模型

镁合金带连接分离装置因结构简单;解锁可靠而在航天发射领域得到广泛应用。为研究该装置在燃气作用下的解锁过程和解锁时间,首先利用数值计算方法对燃气流动和镁合金带内部传热过程进行数值模拟,获得镁合金带承受的热、力载荷条件;然后结合镁合金材料特性,对镁合金带断裂因素进行深入分析,表明热、力共同作用是镁合金带断裂和连接分离装置解锁的关键因素;最后结合模拟实验,对这一结论进行验证。在此基础上,结合一维气体流动特性和一维热传导模型,建立镁合金带连接分离装置解锁时间的预估模型,为工程设计提供参考。     

火箭发动机地面水平试车尾流温度场仿真分析

针对氢氧火箭发动机地面水平试车时尾流燃气对地面热防护的影响,分别采用二维轴对称模型和三维模型对发动机尾流流场进行了数值模拟。计算中,采用氢氧单步燃烧反应模型考虑尾流燃气与空气的燃烧,湍流模型选用了标准k-ε模型。仿真结果表明：三维模型中,燃气逐渐向地面流动,地面燃气温度高于二维轴对称模型中的燃气温度;发动机工况变化时,三维模型和二维轴对称模型中的地面燃气温度变化趋势相反,采用三维模型计算具有更好的可信度。     

Chiral symmetry breaking and complete chiral purity by thermodynamic-kinetic feedback near equilibrium: implications for the origin of biochirality

Chiral symmetry breaking occurs when a physical or chemical process spontaneously generates a large excess of one of the two enantiomers--left-handed (L) or right-handed (D)--with no preference as to which of the two enantiomers is produced. From the viewpoint of energy, these two enantiomers can exist with an equal probability, and inorganic processes that involve chiral products commonly yield a racemic mixture of both. The fact that biologically relevant molecules exist only as one of the two enantiomers is a fascinating example of complete symmetry breaking in chirality and has long intrigued the science community. The origin of this selective chirality has remained a fundamental enigma with regard to the origin of life since the time of Pasteur, some 140 years ago. Here, it is shown that two populations of chiral crystals of left and right hand cannot coexist in solution: one of the chiral populations disappears in an irreversible autocatalytic process that nurtures the other one. Final and complete chiral purity seems to be an inexorable fate in the course of the common process of growth-dissolution. This unexpected chiral symmetry breaking can be explained by the feedback between the thermodynamic control of dissolution and the kinetics of the growth process near equilibrium. This "thermodynamic-kinetic feedback near equilibrium" is established as a mechanism to achieve complete chiral purity in solid state from a previously solid racemic medium. The way in which this mechanism could operate in solutions of chiral biomolecules is described. Finally, based on this mechanism, experiments designed to search for chiral purity in a new way are proposed: chiral purity of amino acids or biopolymers is predicted in solid phase from a previously solid racemic medium. This process may have played a key role in the origin of biochirality.     

潜载导弹近筒口点火数值仿真

针对无横流影响的潜载导弹近筒口点火瞬态流场变化情况,建立多相流数学模型,考虑空穴模型,基于动网格技术,实现了潜载导弹弹射出筒、近筒口点火方式发射过程尾空泡的演变过程以及弹体、固壁的压强变化。仿真结果表明,筒口效应导致固壁各处的压强阶跃;近筒口点火后,尾空泡不断的颈缩、膨胀导致压强脉动,但不会产生断裂和回击现象。在筒口气团闭合后点火对筒口产生更大的压强脉动,有可能对固壁产生破坏。     

芳Ⅲ编织绳动态拉伸性能研究

芳Ⅲ编织绳是常见的降落伞伞绳材料，在开伞过程中承受较大的冲击载荷，为研究其动态拉伸性能，文章以3.5-750芳Ⅲ编织绳为例，进行了动态拉伸试验及仿真模拟。首先使用万能强力机对3.5-750芳Ⅲ编织绳开展了4个不同应变率工况下的动态拉伸破坏试验，获得拉力-等效应变曲线，研究发现随拉伸应变率的增加，编织绳的断裂强力和弹性模量均增大，而断裂应变和韧性均减小。随后利用ABAQUS软件，建立了芳Ⅲ编织绳的纱线级有限元模型，依据试验结果对Johnson-Cook动态本构模型进行拟合及参数修正，并应用于编织绳动态拉伸破坏仿真，得到不同应变率下的仿真结果。与试验对比，研究表明，拟合、修正得到的Johnson-Cook动态本构模型可有效地模拟柔性编织绳动态拉伸行为，为柔性编织绳的动态力学性能研究提供了仿真手段。     

多智能体机器人系统的合作编队行为研究

本文建立了多智能体机器人系统合作编队的数学模型，并分析了它的特点；引入“队形向量”控制多个智能机器人能够编队包围捕获“入侵者”；提出了一个通信协调模型以解决系统的冲突和掉队问题；给出了系统的仿真结果。     

On the breakdown of wave fronts of characteristics in an ideal dissociating gas

Using the method of characteristics, the problem of breaking or non-breaking of waves is studied in a plane cylindrically or spherically symmetric flow of an ideal dissociating gas. It is investigated as to how the effects of dissociation and that of the wave front curvature influence the breaking or non-breaking of waves. In a symmetrical converging gas motion a remarkable difference between the behaviours of cylindrical and spherical waves is discovered.     

通信同步的干扰(Ⅱ)

干扰敌通信同步信号是通信干扰的重要手段。在讨论通信同步的前一篇文章的基础上,分析了破坏通信同步的可行性及方法,并指出破坏敌通信同步具有事半功倍的效果。     

主成份估计的特征根因子筛选方法

线性回归模型的主成份估计具有模型紧致和减弱病态的作用,并提高参数估计效果,但是如何筛选特征根却是主成份估计的重要问题。本文找到了主成份估计的特征根与残差平方和之间的确定关系,并根据模型拟合优度和减弱测量随机噪声对参数估计的影响,提出主成份估计筛选特征根的准则。由于特征根与残差平方和具有确定关系,使用这个准则就极为方便,它既可以选到最优组合,又大大减少了计算量,这就具有实际使用价值。     

利用非GEO卫星进行地面站时间同步研究

根据地球静止轨道（GEO）卫星转发同步信号的双向时间比对法实现站间时间同步的基本原理,提出了利用拟合非GEO卫星转发信号的伪距实现时间同步的新方法。拟合伪距法消除了传播路径延迟和只能使用GEO卫星作为信号转发器的限制,扩大了双向时间比对的应用范围。仿真结果表明：该法有较高的精度,满足工程要求。     

充气卸荷开关泄漏机理分析

某发射场进行火箭发动机气瓶充气时出现充气卸荷开关关闭后泄漏故障,分解卸荷开关后发现卸荷开关阀芯导向部位存在异常磨损,且阀芯非金属密封面周向密封压痕深度不均匀,结合故障形貌,采用有限元仿真计算压痕深度,对泄漏故障的根本原因进行深入剖析。分析结果表明:卸荷开关阀芯导向部位存在微小原始缺陷,多次动作后在阀芯与壳体导向部位产生粘着磨损,阀芯在壳体导向孔中回位发生偏斜,造成阀芯非金属密封面出现不均匀压痕,最终导致卸荷开关在测试时漏率超标。     

A simulation model for the analysis of Space Station gas-phase trace contaminants.

A simulation model for the analysis of gas-phase trace contaminants in the cabin air of the NASA Space Station Reference Configuration was developed at the NASA Langley Research Center. The model predicts changes in trace contaminant concentrations from both physical and chemical sources an sinks as a function of time. Simulations were performed in which values for relative humidity, temperature radiation intensity, pressure, and initial species concentrations were constrained to values for the parameters measured and modeled in the continental tropics at the Earth's surface. Species concentrations simulated using the model compared favorable with concentrations in the continental tropics which demonstrated that the chemical mechanism in the trace contaminant model approximates changes atmospheric species concentrations. The sensitivity of initial species concentrations to producing change in additional species concentrations was also assessed. Results from the model indicated that chemical reactions will be important in determining the composition of cabin air in the Space Station. It is anticipated that the trace contaminant model will be useful in assessing the impact of experiments a commercial operations on the composition of the cabin air in the Space Station.     

Formation routes of interstellar glycine involving carboxylic acids: possible favoritism between gas and solid phase

Despite the extensive search for glycine (NH?CH?COOH) and other amino acids in molecular clouds associated with star-forming regions, only upper limits have been derived from radio observations. Nevertheless, two of glycine's precursors, formic acid and acetic acid, have been abundantly detected. Although both precursors may lead to glycine formation, the efficiency of reaction depends on their abundance and survival in the presence of a radiation field. These facts could promote some favoritism in the reaction pathways in the gas phase and solid phase (ice). Glycine and these two simplest carboxylic acids are found in many meteorites. Recently, glycine was also observed in cometary samples returned by the Stardust space probe. The goal of this work was to perform theoretical calculations for several interstellar reactions involving the simplest carboxylic acids as well as the carboxyl radical (COOH) in both gas and solid (ice) phase to understand which reactions could be the most favorable to produce glycine in interstellar regions fully illuminated by soft X-rays and UV, such as star-forming regions. The calculations were performed at four different levels for the gas phase (B3LYP/6-31G*, B3LYP/6-31++G**, MP2/6-31G*, and MP2/6-31++G**) and at MP2/6-31++G** level for the solid phase (ice). The current two-body reactions (thermochemical calculation) were combined with previous experimental data on the photodissociation of carboxylic acids to promote possible favoritism for glycine formation in the scenario involving formic and acetic acid in both gas and solid phase. Given that formic acid is destroyed more in the gas phase by soft X-rays than acetic acid is, we suggest that in the gas phase the most favorable reactions are acetic acid with NH or NH?OH. Another possible reaction involves NH?CH? and COOH, one of the most-produced radicals from the photodissociation of acetic acid. In the solid phase, we suggest that the reactions of formic acid with NH?CH or NH?CH?OH are the most favorable from the thermochemical point of view.     

进入火星大气的高温真实气体效应与气动加热研究

针对火星和地球大气分子热力学和化学行为的差异性,采用理论分析和数值模拟两种手段,研究探测器进入过程高超声速流动的分子振动激发、离解反应及热力学和化学非平衡等真实气体效应,获得不同气体模型条件下的高超声速气动加热规律,探究引起地火差异的根本原因。分析认为,探测器进入火星大气层的稀薄气体效应明显;激波层内发生CO 2气体为主的大规模离解,在极高温环境下O 2和CO也将离解;沿进入轨道的高超声速流动基本处于化学非平衡但热力学平衡状态;激波层内能量储存和分配模式因分子振动激发和化学反应而改变,分子振动激发会增强气动加热量,但均介于化学反应模型的完全非催化和完全催化壁结果之间;相同来流条件下CO 2介质高超声速气动加热强于空气介质,但真实的火星进入热载荷因大气稀薄而弱于地球再入环境。相关研究为我国未来火星探测器热防护系统设计提供技术支持。     

充气式再入减速器动态气动载荷与结构特性研究

针对充气式再入减速器在动态飞行环境下的结构特性变化问题,提出一种基于飞行轨迹参数的CFD动态边界条件加载方法,有效实现了飞行动力学与空气动力学之间的耦合。同时,建立考虑内充压气体热效应的流固耦合模型,较已有方法更全面地考虑了结构变形对流场的影响以及内充压气体状态参数的改变,突破了现有研究中未能完整考虑温度对结构特性影响的局限。利用此模型着重对比了再入过程中气动力与气动热对结构应力及一阶固频的影响,并研究了尺寸变化对结构特性的影响规律。研究发现单独考虑气动力与气动热作用时,结构最大应力分别升高至39.6 MPa与33.5 MPa,而适当减小半锥角和增多气囊数目有利于减小结构应力。本文研究为充气式再入减速器的强度校核及优化设计提供了有价值的参考。     

海面舰船复合场景电磁散射模型与应用研究

开展海上舰船目标复合场景电磁散射机理和模型研究对于海洋环境中的船只监测以及分类识别有着重要的指导意义。面向高分辨雷达对海探测需求,介绍了研究团队近年来针对海洋环境提出的一系列电磁散射模型,具体包括：1)针对海面电磁散射提出的毛细波修正面元散射模型,面元化的简化小斜率近似模型以及针对高海情海面提出的考虑破碎波影响的面元化散射模型;2)针对电大尺寸目标提出的几何光学/物理光学混合算法及其硬件加速实现方案;3)针对船海复合场景提出的面元散射模型与几何光学/物理光学混合方法。最后给出了电磁散射模型在海杂波特性仿真分析、电大尺寸目标雷达特性分析、目标及船海复合场景高分辨合成孔径雷达图像仿真与目标探测等中的应用。     

Temporal changes in fluid chemistry and energy profiles in the vulcano island hydrothermal system

In June 2003, the geochemical composition of geothermal fluids was determined at 9 sites in the Vulcano hydrothermal system, including sediment seeps, geothermal wells, and submarine vents. Compositional data were combined with standard state reaction properties to determine the overall Gibbs free energy (DeltaG(r) ) for 120 potential lithotrophic and heterotrophic reactions. Lithotrophic reactions in the H-O-N-S-C-Fe system were considered, and exergonic reactions yielded up to 120 kJ per mole of electrons transferred. The potential for heterotrophy was characterized by energy yields from the complete oxidation of 6 carboxylic acids- formic, acetic, propanoic, lactic, pyruvic, and succinic-with the following redox pairs: O(2)/H(2)O, SO(4) (2)/H(2)S, NO(3) ()/NH(4) (+), S(0)/H(2)S, and Fe(3)O(4)/Fe(2+). Heterotrophic reactions yielded 6-111 kJ/mol e(). Energy yields from both lithotrophic and heterotrophic reactions were highly dependent on the terminal electron acceptor (TEA); reactions with O(2) yielded the most energy, followed by those with NO(3) (), Fe(III), SO(4) (2), and S(0). When only reactions with complete TEA reduction were included, the exergonic lithotrophic reactions followed a similar electron tower. Spatial variability in DeltaG(r) was significant for iron redox reactions, owing largely to the wide range in Fe(2+) and H(+) concentrations. Energy yields were compared to those obtained for samples collected in June 2001. The temporal variations in geochemical composition and energy yields observed in the Vulcano hydrothermal system between 2001 and 2003 were moderate. The largest differences in DeltaG(r) over the 2 years were from iron redox reactions, due to temporal changes in the Fe(2+) and H(+) concentrations. The observed variations in fluid composition across the Vulcano hydrothermal system have the potential to influence not only microbial diversity but also the metabolic strategies of the resident microbial communities.