RDX分子内振动能量重分配的动力学研究

基于从头算分子动力学(Born-oppenheimer molecular dynamics, BOMD)模拟, 构建了环硝胺六氢-1,3,5-三硝基-1,3,5-三嗪(RDX)单分子不同振动模式之间的耦合矩阵, 并计算了在不同加载能量下从低频振动模式到高频振动模式的最优能量传输路径. 结果表明, RDX单分子中—NNO₂基团更有利于能量局域化, 振动模式v₃和v₄在从低频振动模式到高频振动模式的能量传输过程中扮演着重要角色. 通过对v₃和v₄两个振动模式的进一步分析发现, 加载能量的不同会导致RDX单分子能量传输路径的不同. 当加载能量较低时, RDX单分子倾向于从低频振动模式到中频振动模式再到高频振动模式的能量传输路径; 当加载能量较高时, 能量更倾向于从低频振动模式直接传输到高频振动模式上. 揭示了RDX分子内振动耦合能量转移的微观机制, 为进一步探索RDX将“机械能”转化为“化学能”的微观过程提供了理论基础.     

陈宗基先生简介

<正> 陈宗基先生1922年9月15日出生于印尼,祖籍福建安溪.1941年至1942年在印尼万隆工学院就学,1946年留学荷兰德尔夫特科技大学,1949年毕业并获工学士学位,1954年获优秀技术科学博士学位.陈先生1955年响应周总理号召回国参加祖国社     

三维动力学分析软件MSC／DYTRAN功能及其应用

简要介绍了三维动力学分析软件ＭＳＣ／ＤＹＴＲＡＮ的功能，基本特征，以及在数值计算领域如：浅滩水下爆破，弹丸高速碰撞，成型装药等问题中的应用，并给出了部分算例。     

Low Velocity Response Characteristics of Composite Plate with Embedded Shape Memory Alloy

I. INTRODUCTION Composite materials have been used extensively in aerospace and other industries owing to the factthat they have high speci?c modulus, high speci?c strength, and the capability to be designed andfabricated with greater ?exibility, and ha…     

MD simulation for nanocrystals

Molecular dynamic (MD) provided anab initio simulation for nano-scale mechanical behavior of materials, provided that the inter-atomic potential is accurately prescribed. MD is particularly suitable in simulating the formation, the deformation, and the evolution of nanocrystals under a fast strain rate. To tackle large scale system and nano-seconds time duration, parallel algorithm is desired. The present paper reviews the recent advances in MD simulation for nanocrystals rithm is desired. The present paper reviews the recent advances in MD simulation for nanocrstals with attention focused on the applications toward nanomechanics. The examined issues are: formation of nanocrystalline metals, nanoindentation on nancorystals, fast deformation of nanocrystals, orderdisorder transition, and nano-particle impact. The project supported by the National Natural Science Foundation of China (101212202 and 90205023)     

FLOW STRUCTURE FORMATION AND EVOLUTION IN CIRCULATING GAS-FLUIDIZED BEDS

The occurrence of heterogeneous flow structures in gas-particle flows seriously affects the gas-solid contacting and transport processes in high-velocity gas-fluidized beds. Particles do not disperse uniformly in the flow but pass through the bed in a swarm of clusters. The so-called “core-annulus“ structure in the radial direction and “S“ shaped axial distribution of solids concentration characterize the typical flow structure in the system. A computational study, using the discrete particle approach based on molecular dynamics techniques, has been carried out to explore the mechanisms underlying formation of the clusters and the core-annulus structure. Based on energybudget analysis including work done by the drag force, kinetic energy, rotational energy, potential energy, and energy dissipation due to particle-particle and particle-wall collisions, the role of gas-solid interaction and inelastic collisions between the particles are elucidated. It is concluded that the competition between gas-solid interaction and particle-particle interaction determines the pattern formation in high-velocity gas-solid flows: if the gas-solid interaction (under elevated pressure) dominates, most of particle energy obtained by drag from the gas phase is partitioned such that particle potential energy is raised, leading to a uniform flow structure. Otherwise, a heterogeneous pattern exists, which could be induced by both particle -particle collisions and gas-solid interaction. Although both factors could cause the flow instability, the non-linear drag force is demonstrated to be the necessary condition to trigger heterogeneous flow structure formation. As gas velocity increases and goes beyond a critical value, the fluid-particle interaction suppresses particle collisional dissipation, and as a consequence a more homogeneous flow regime is formed.     

Experimental and FEM study of windshield subjected to high speed bird impact

Both experimental and finite element model (FEM) results are presented for the dynamic strength behavior of windshield subjected to bird impact. The experimental data taken from a series of high speed photographs are compared with the numerical results predicted by using FEM in which the windshield was modeled entirely with solid elements and the bird body was approximately simulated by an elastic-plastic material with failure element behavior. Effective plastic strain and element pressure were adopted as the failure criteria and once the pressure or the effective plastic strain of an element reached the critical value, the element would lose the tensile resistance capability completely. The deflection and stress distribution in the windshield were obtained. It is shown that the result from the finite element analysis agrees with those from the full-scale bird impact test. The project supported by the National Natural Science Foundation of China (10272011)     

碰撞角对爆炸复合材料界面状态的影响

复合材料界面状态是衡量复合质量优劣的主要评定因素之一,焊接参数和界面状态之间存在着紧密的联系。为了获得理想的复合质量,必须正确选择爆炸焊接参数。本文在实验的基础上,通过理论研究和数值计算,探讨了爆炸复合的力学模型及物理机制,验证了碰撞角对再入射流的质量(或再入射流的厚度)和爆炸复合材料界面状态存在的影响,得出了波形的变化趋势与碰撞角的变化趋势相一致的结论,同时确立了波形参数和碰撞角的半定量表达式,拓展和深化了爆炸复合的研究领域,丰富和发展了爆炸复合的成波机理,从而能够更好地指导工程应用,减少工程损耗,提高复合质量和工作效率。     

多点碰撞动力学的规范求解

物体间的碰撞是工程技术中一个重要研究课题．大多数的研究工作都是集中在多刚体系统碰撞动力学问题的研究．在多刚体系统中，两个刚体之间是用一个铰连接的．但是，还存在另一类型的碰撞系统，在这类碰撞系统中，相碰的物体间没有铰存在．物体可能是自由的，也可能是被其周围环境约束的，但在物体之间没有铰的联系，这种碰撞问题称作为“分离式碰撞问题”，物体间的相互联系和相互作用仅仅在碰撞过程中存在．本文对这类“分离式碰撞问题”进行了研究，并且给出了一组解决这类问题的通用公式．这些公式可以方便地编程和计算，从而实现了多物体间的多点碰撞的动力学求解     

船舶碰撞的研究方法和进展

本文简要评述船舶碰撞的研究进展和发展趋势．介绍了船舶碰撞研究的内容和方法（包括理论的和实验的）．本文重点阐述实船试验方法，包括实尺试验的基本步骤，实尺试验的输入参数选择和试验地点选择．最后提出了综合性意见，并介绍了国内在碰撞研究方面已做的工作和将要做的工作．