“最小键级原理”的从头算证实———苯和苯胺类硝基衍生物

感度是爆炸物对外界刺激的敏感程度 ,是火药、炸药和起爆药的基本属性 .在外界撞击作用下炸药发生爆炸的难易程度即该炸药的撞击感度 .感度通常依靠实测 ,从理论上加以判别是人们追求的目标 ,故研究炸药感度与结构的关系一直是该领域的热点 .根据撞击引起热解、热解引起爆炸、撞击感度主要与热解引发步骤相关联等思想 ,我们建议了“最小键级原理 (PSBO)”[1- 4] :对系列结构相似爆炸物 ,其热解引发键键级 (或重叠布居 )越小 ,则撞击感度越大 ;热解引发键键级越大 ,则撞击感度越小 .该判据已在多系列炸药中获得证实和应用[1- 4] .“热解引…     

基于光纤光栅的冲击能检测

提出一种利用光纤光栅作为传感元构成传感阵列对冲击能进行检测的方法.通过搭建简易冲击系统装置,将光纤光栅应变传感器沿轴向对称粘贴于圆杆表面,对入射应力波能量进行检测.实验结果表明,两杆对心正冲击时入射应力波幅值最大,能量传递效率最高.通过分析频率域内的应力波信号可知,其能量主要集中在0~5 000Hz频率范围内.将入射应力波能量与冲杆动能进行对比,结果表明冲杆与圆杆传递能比在93%以上,基本满足冲击机械性能测试的需求.     

五种典型硝基苯胺类炸药的静电势与撞击感度的关系研究

利用HONDO程序包,采用从头算法对硝基苯胺类炸药的分子结构和电偶极矩等性质以及 C-NO2键中点静电势等进行计算,讨论了硝基苯胺类炸药C-NO2键中点静电势最大值Vmidmax与其实验撞击感度之间的关系.研究表明:对于硝基苯胺类炸药,不宜单独用C-NO2键中点静电势最大值Vmidmax来表征撞击感度的变化,但可以用静电势最大值Vmidmax与电偶极矩的积来确定其撞击感度的变化趋势,讨论了硝基和胺基的相对位置以及硝基和胺基的数目对这类炸药感度的影响.     

A Taylor expansion approach for solving partial differential equations with random Neumann boundary conditions

Nonlinear partial differential equation with random Neumann boundary conditions are considered. A stochastic Taylor expansion method is derived to simulate these stochastic systems numerically. As examples, a nonlinear parabolic equation (the real Ginzburg-Landau equation) and a nonlinear hyperbolic equation (the sine-Gordon equation) with random Neumann boundary conditions are solved numerically using a stochastic Taylor expansion method. The impact of boundary noise on the system evolution is also discussed.     

短脉冲激光辐照下SiO2损伤微观机理简化模型

 从电子密度速率方程出发，建立短脉冲激光辐照下SiO₂材料中导带电子增长简化模型，计算了SiO₂中光致电离速率和电子雪崩速率，得到SiO₂激光损伤阈值与脉冲宽度的关系，计算分析了光致电离和碰撞电离两种电离机制在导带电子累积过程中的不同作用。结果表明：脉冲较长，碰撞电离几乎能提供全部的导带电子，激光损伤阈值与脉宽的0.5次方成正比；脉冲较短时，导带电子主要由碰撞电离产生，光致电离提供碰撞电离的初始电子，激光损伤阈值随着脉宽的减小，先增加后减小。     

Potential solutions to improved sound performance of volume based lightweight multi-storey timber buildings

Lightweight building systems in general suffer from poor sound insulation, especially in the low frequency region. Since no reliable mathematical models that can predict the impact sound pressure level exists, the lightweight building design is to a high extent based upon previous experience and upon measurements. A special difficulty is related to experimental measurements since the variation among identical units must not be neglected. A modern volume based lightweight wooden building concept has here been tested by numerous well controlled measurements, in laboratory as well as in more field like conditions. The volume construction technique offers new possibilities and challenges to improve sound insulation in light weight timber construction. The main purpose was to investigate how different constructional solutions in the floor, like plaster board, mineral wool, elastic glue, dividing board, floating floor etc., affect the sound insulation. Many of the tested modifications resulted in only marginally changed impact sound pressure level but parameters that substantially can improve the sound insulation were found in using elastic glue to mount the floor boards, to install extra board layers and to use floating floors.     

类铜Au50+离子电子碰撞激发特性的研究

利用全相对论扭曲波（RDW）方法,系统计算了类铜Au50+离子的外壳层电子4s激发到4l 、5l （ l= s、p、d、f,除去4s-4s ）和内壳层电子3l （l = s、p、d）激发到4l 、5l （l = s、p、d、f）的碰撞激发截面,研究了在不同入射电子能量下截面的变化规律,给出了3d-4f 和3d-5f 精细结构能级的碰撞激发截面。部分计算结果与其它理论及最新实验结果进行了比较,取得了很好的一致性。     

用离子阱经H2++H2碰撞反应碰撞反应制备H4+

用Ｐｅｎｎｉｎｇ型离子阱经碰撞反应Ｈ２＾＋＋Ｈ２→Ｈ４＾＋产生稳定的Ｈ４＾＋,主要的反应产物是Ｈ３＾＋,但十分明显地观测到Ｈ４＾＋信号。Ｈ４＾＋在阱中稳定存在时间长达０．１ｓ量级,远比Ｋｉｒｃｈｎｅｒ等人测量的１０＾－６ｓ量级长,最后讨论了生成Ｈ４＾＋的反应过程机制。     

Identification and Characterization of 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylic Acid 1,1-Dioxide Derivatives by Mass Spectroscopy

Electron impact mass spectral fragmentation of certain esters and amides derived from 4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid 1,1-dioxide is described. Common ions to both series may be observed, as well as others allowing them to be differentiated. The method is promissory for identification and analysis of these compounds.