正庚烷热裂解的反应分子动力学模拟

研究表明正庚烷热裂解的主产物是C₂H₄, H₂, CH₄以及C₃H₆,模拟结果和实验吻合很好. 温度对产物分布具有明显的影响,当温度上升,目标产物乙烯的量会迅速增加. 正庚烷转化率以及主产物的摩尔分数分别通过反应分子动力学和化学动力学模拟计算得到,两种方法模拟结果相吻合. 我们还通过动力学分析研究了正庚烷热裂解反应的动力学参数,反应活化能为47.32 kcal/mol,指前因子为1.78×10¹⁴ s^-1.     

SiC表面圆环槽边缘效应实验研究

基于固体边缘效应,对碳化硅(SiC)表面激光加工圆环形沟槽的润湿特性进行实验研究,通过分析去离子水在圆环槽上的润湿性能及其在边缘处的铺展行为,获得了环槽深度与环槽宽度对液滴在边缘处最大表观接触角的影响规律.结果表明,SiC圆环槽阻碍液滴铺展,光滑基体表面上接触角为70°,激光加工圆环槽深度为290μm,宽度为1 mm时,接触角可达138.5°.随槽深的增大,接触角呈现先增大后趋于稳定的趋势,临界槽深为80μm.当槽深小于该极值时,接触角随槽深的增大而线性增大;当槽深大于该极值时,液滴处于稳定钉扎状态,接触角趋于稳定,其稳定值符合Gibbs不等式.环槽宽度存在一临界值40μm.当槽宽低于该值时,液滴接触环槽外缘后越过沟槽继续在平面上铺展;当槽宽大于该值时,接触角趋于稳定,液滴沿边缘铺展.     

X形色心激光谐振腔参数的确定及类F2+型色心激光运转

文中,针对X形谐振腔的特点及结合纵向泵浦理论,分析了X形谐振腔几何参数的确定条件和模式匹配条件;根据有关NaCl(OH^-):(F₂⁺)_H和KCl(Na⁺,OH^-):(F₂⁺)AH色心激光的主要研究结果,分析了提高色心激光输出效率的可能途径.     

串联战斗部前级K装药结构的优化设计

针对串联战斗部前级装药大开孔兼顾侵深的要求,应用LS-DYNA有限元软件,结合正交优化设计方法,仿真研究了K装药的药型罩及隔板结构参数对高速聚能杆式射流成型的影响规律,找出了形成较高头部速度的聚能杆式射流的药型罩外壁曲率半径和偏心距(分别为90~110mm和35~40mm)。计算得到了各结构参数(偏心距、罩外壁曲率半径、壁厚、隔板直径、张角、锥角)对聚能杆式侵彻体成型指标(头部速度和头尾速度差)影响的主次顺序,获得了K装药结构参数的最佳组合。进行了X光成像及侵彻钢靶实验,侵深达到装药口径的3.73倍,侵彻孔径为装药口径的0.36倍,侵彻孔径较均匀。数值模拟结果与实验结果吻合较好,研究结果为串联聚能装药技术的进一步研究提供了参考依据。     

腔内低气压对激光陀螺光路变动及其损耗的影响

激光陀螺光路稳定性决定着陀螺的性能,而谐振腔内外压差是影响陀螺光路稳定性重要因素之一.为了研究腔内低气压对激光陀螺光路变动及其损耗的影响,采用ANSYS仿真软件对激光陀螺在腔内低气压状态下反射镜的微小形变进行了仿真计算,结果表明:低气压状态下,反射镜的中心发生最大形变,其中球面镜最大形变量为545nm,平面镜最大形变量为31nm,这不仅引起光路偏离光阑中心390nm,同时引起球面镜曲率变化174mm.进一步从理论上分析了这种变化对光路变形和谐振腔损耗的影响,结果表明:上述变化综合引起谐振腔损耗变化2%~3%,其中球面镜曲率半径的变化是引起损耗变化的主要原因,增加球面镜槽深或降低腔内外压差都能有效减小这种光路的变化.通过搭建光路测试系统,进一步验证了计算结果的正确性.     

窄脉宽激光诱导背向选择性去除金属薄膜制备微电路(特邀)EI北大核心CSCD

为了在透明基板上制备出导电性能良好的微电路,研究了窄脉宽激光正向和背向选择性去除金属薄膜制备的微结构形貌特征,开展了纳秒激光选择性去除Cu薄膜(厚度为150 nm)的实验和温度场仿真研究,揭示了正、背面去除的烧蚀机理和材料的喷射机制。实验结果表明,当激光脉冲能量为0.270~0.542μJ,扫描速度为2 mm/s时,激光诱导背向去除金属薄膜在加工质量方面优于正向加工,其去除几何精度高,轮廓边缘平整,几乎没有溅射。采用优化后的纳秒激光加工工艺参数,激光脉冲能量为0.403μJ,扫描速度2 mm/s,扫描线间距为3μm,制备出均匀分布的铜阵列图案。在相同参数下对玻璃基板上的铜薄膜背向选择性去除,得到具有良好导电性和粘附性的微电路。     

D-葡萄糖热裂解生成丙烯醛的理论研究

用新一代密度泛函方法(XYG3)考察了D-葡萄糖热裂解生成丙烯醛的各种可能途径. 该反应最有利的路径为: 葡萄糖首先异构成果糖,然后经周环Grob碎片化及电环化脱水,最终生成丙烯醛. 预测丙烯醛主要源自D-葡萄糖上C4、C5和C6,与¹³C同位素标记实验相符.     

用脉冲激光全息干涉术测量稠密等离子体电子密度分布

利用脉冲激光作为探测光源,采用全息双曝光法对激光惯性约束核聚变高温高稠度等离子体的诊断,开发了原理上全新的诊断方法.打靶主激光与探测激光实现严格同步Δt≤10^-11～10^-10s,可获得高空间分辨率Δδ≤1μm等离子体二维图象(阴影图象和干涉图象),并保证时间分辨率Δt达到10^-11s左右.记录等离子体折射率空间分布是测定密度剖面变化和计算等离子体流体动力学参量的基础.     

小尺寸VmOn+团簇的激光光解和密度泛函计算

通过激光溅射法产生了V₂O_n⁺ (n=1, 2), V₃O_n⁺ (n=1, 2, 3)和V₄O₃⁺等缺氧的钒氧团簇,并采用532和266 nm波长的激光对它们进行了光解研究. 利用密度泛函理论计算与激光光解实验相结合确定了这些团簇的几何结构和可能的光解通道. 激光光解实验表明V相似文献   

脉冲激光与电化学复合的应力刻蚀加工质量研究

脉冲激光电化学复合加工可以有效去除激光辐照区域内的电解产物, 提高加工效率, 改善加工质量. 针对高性能金属材料的微细加工要求, 采用脉冲激光电化学复合的应力刻蚀加工方法对铝合金的刻蚀特性进行理论和试验研究. 通过比较激光直接刻蚀加工和激光电化学复合加工的特点, 应用扫描电子显微镜、光学轮廓仪等检测技术分析了刻蚀区域的形貌特征. 根据力学电化学原理, 探讨了金属材料微结构加工的应力去除机理. 通过加工试验, 研究了工艺参数和加工方式对加工质量的影响, 采用优化的工艺参数, 加工出了质量较好的微结构. 试验结果表明, 激光电化学复合的连续扫描加工稳定性好, 可以有效地降低表面粗糙度, 提高加工质量. 关键词： 激光电化学 应力刻蚀 加工质量 工艺参数     

Fracture Assessment of Notched Bainitic Functionally Graded Steels under Mixed Mode (I + II) Loading

The averaged value of the strain-energy density over a well-defined volume is one of the powerful criteria to assess the static strength of U- and V-notched specimens. This contribution is the first to investigate the effect of notch parameters (notch radius, notch depth and notch opening angle) for fracture assessment of specimens weakened by blunt V-notches made of bainitic functionally graded steels under mixed mode loading (I + II). A numerical method has been used to evaluate the boundary of the control volume, the mean value of the strain-energy density and the critical fracture load. Different values of the notch radius (0.5, 1.0, 1.5 and 2.0 mm), notch depth (5.5, 6.0 and 6.5 mm), notch opening angle (30°, 60° and 90°) and distance of the applied load from the notch bisector line (5 and 10 mm) have been considered. Moreover, this contribution shows that the mean value of the strain-energy density over the control volume can also be accurately determined from a coarse mesh for functionally graded steels.     

A study of process parameters during pulsed Nd:YAG laser notching of C70S6 fracture splitting connecting rods

This paper reports on the laser notching technology in C70S6 steel for fracture splitting connecting rod using a Nd:YAG pulsed laser. The effects of process parameters on starting notch (SN) dimension and morphology were investigated by both finite element method (FEM) simulations and physical experiments for various process parameters. Optical microscopy and the scanning electron microscope (SEM) were used for the measurement of SN dimension and the observation of SN morphology in the experiment. The results were compared with the predictions. It was found that the FEM simulations results showed good consistency with the experiments, which indicates that the finite element model is feasible and reliable. Based on the principal findings from the two methods, optimum ranges of process parameters for different fracture splitting connecting rods were predicted, which are a flexibly adjusting notch depth, a curvature radius less than 0.08 mm and an opening angle within the range 18–26°. The results indicate that the predicting ranges are suitable for making good SNs, which has also been proved by the fracture splitting experiments.     

Effect of notch depth and radius on the critical fracture load of bainitic functionally graded steels under mixed mode I + II loading

Functionally graded steels are produced from austenitic stainless steel and carbon steel by controlling the chemical distribution of chromium, nickel and carbon atoms at the remelting stage through electroslag remelting process. In the present paper, the strain-energy density criterion is employed to assess the critical load of rounded V-notched components made of functionally graded bainitic steel. A crack arrester configuration under mixed mode loading is considered. The flow (yield/ultimate) strength and fracture toughness are assumed to vary exponentially along the notch depth direction while the Young’s modulus and the Poisson’s ratio are assumed to be constant. The control volume, which is a reminiscent of Neuber’s elementary structural volume, depends on the ultimate tensile strength σ_ut and the fracture toughness K _IC in the case of brittle or quasi-brittle materials subjected to static loadings. Since, σ_ut and K _IC are not constant along the notch depth, the control volume which can be obtained numerically as a function of the variation of these material properties through the specimen width. Different values of the notch root radius (from 0.2 to 2.0 mm) and notch depth (from 5 to 7 mm) are considered. The assessed critical fracture loads are in sound agreement with the experimental results.     

Elastic-plastic fracture analysis of notched Al 7075-T6 plates by means of the local energy combined with the equivalent material concept

The main goal of the present research is to analyze tensile fracture in Al 7075-T6 thin plates weakened by blunt V-notches. For this purpose, first, 27 fracture tests are carried out on rectangular plates containing a central rhombic hole with two blunt V-shaped corners horizontally located. The experimental observations indicated that a plastic region initiates from the notch tip and grows as the tensile load monotonically increases, and finally, fracture happens suddenly with a significant opening of the notch tip. By showing significant plastic deformations around the notch tip and also inclined fracture planes, the specimens after fracture confirm well the ductile rupture in V-notched Al 7075-T6 plates. As the main experimental result, the load-carrying capacity of the notched plates corresponding to the onset of crack initiation from the notch tip is recorded. To theoretically predict the experimental results, the equivalent material concept is utilized together with the well-known brittle fracture criterion, namely the averaged strain energy density criterion. Without requiring elastic-plastic finite element analysis, it is shown that the combination of the averaged strain energy density and equivalent material concept is successful in predicting the load-carrying capacity of the V-notched Al 7075-T6 plates that fail by moderate-scale yielding regime.     

选区激光熔化及热处理工艺对钴铬合金力学性能的影响

系统研究了选区激光熔化（SLM）及热处理工艺对钴铬合金组织与性能的影响。通过设计正交实验,利用EOS M290选区激光熔化设备,优化钴铬合金成型的工艺参数;利用XRD、扫描电镜（SEM）、硬度仪及万能材料试验机对选区激光熔化钴铬合金的显微组织结构、物相组成及力学性能进行观察与测试。研究结果表明,选区激光熔化成型的最佳工艺参数为:扫描间距0.08 mm,扫描速度1110 mm/s,激光功率335 W,能量密度4.8 J/mm2,获得的致密度高达99.18%,且最佳的填充角度为67。SLM成型的钴铬合金的物相主要由相及少量相共存,微观组织由细小均匀的胞状晶及柱状晶构成;其硬度、抗拉强度及延伸率分别为41.0HRC,1032 MPa,10%,断裂机制主要为穿晶脆性断裂。热处理后显微组织发生相变,主要为相及少量相,并产生少量强化相M23C6(M=Cr,Mo,W);其硬度、抗拉强度及延伸率分别提升了6.1%,35.9%和17.6%,断裂机制主要为准解理断裂。     

Mixed mode I/II brittle fracture in V-notched Brazilian disk specimens under negative mode I conditions

The well-known round-tip V-notched Brazilian disk specimen is utilized for conducting mixed mode I/II fracture tests on PMMA under negative mode I conditions for different notch angles and various notch radii with the aim to measure experimentally the fracture load and the fracture initiation angle. It is shown by the finite element analysis that although the notch is under negative mode I loading, one side of the notch border still experiences tensile tangential stresses suggesting that fracture would take place from the same side of notch border. Experimental observations also indicated that fracture occurs from the tensile side of the notch border confirming the finite element results. The experimental results are then theoretically estimated by means of two stress-based brittle fracture criteria, namely the round-tip V-notch maximum tangential stress and the mean-stress criteria. It is shown that both criteria provide very good predictions to the experimental results obtained under negative mode I conditions.     

Crack Initiation at V-Notch Tip under In-Plane Mixed Mode Loading: A Review of the Fictitious Notch Rounding Concept

The fictitious notch rounding concept has been recently applied for the first time to V-notches with root hole subjected to in-plane mixed mode loading. Out-of-bisector crack propagation is taken into account. The fictitious notch radius is determined as a function of the real notch radius (the microstructural support length) and the notch opening angle. Due to the complexity of the problem, a method based on the simple normal stress failure criterion has been used. It is combined with the maximum tangential stress criterion to determine the crack propagation angle. An analytical method based on Neuber’s procedure has been developed. The method provides the values of the microstructural support factor as a function of the mode ratio and the notch opening angle. The support factor is considered to be independent of the microstructural support length. Finally, for comparison, the support factor is determined on a purely numerical basis by iterative analysis of finite element models. The present paper is aimed to give a brief overview of the recent findings on this challenging topic making clear the state of the art.     

Processing of concretes with a high power CO2 laser

Laser material processing, being a non-contact process, minimizes many of the complexities involved in the decontamination and decommissioning of nuclear facilities. A high power laser beam incident on a concrete surface can produce spalling, glazing or vaporization, depending upon the laser power density and scan speed. This paper presents effect of various laser processing parameters on the efficiency of material removal by surface spalling and glazing. The size of laser beam at constant fluence or energy density had significantly different effect on the spalling process. In thick concrete block cutting the flow or removal of molten material limits the cutting depth. By employing repeated laser glazing followed by mechanical scrubbing process cutting of 150 mm thick concrete block was carried out. Gravitation force was utilized for molten materials to flow out while drilling holes on vertical concrete walls. The dependence of the incident laser beam angle on drilling time was experimentally studied.     

声表面波在圆弧处反射及透射的数值研究*

为了研究直达表面波在圆弧过渡面处传播性能的变化,采用有限元方法模拟了热弹机制下,线性脉冲激光辐照金属铝块表面时激发的表面波在近表面传播过程中,在不同曲率半径的圆弧处发生的反射及透射现象,建立了圆弧半径与反射表面波以及透射表面波时域信号特征之间的联系。计算结果表明:曲率半径与表面波中心波长的数值关系对表面波在圆弧处的传播有显著的影响;同时证明了根据透射表面波信号的到达时间可以反演圆弧半径的大小,为之后利用表面波信号定量检测材料表面圆弧凹痕的深度提供了理论依据。     

方形爆炸抛撒装置结构优化

为了研究方形抛撒装置壳体破坏规律及燃料分散特性,开展了抛撒装置外场实验并利用LS-DYNA仿真软件进行了数值模拟,模拟结果与实验结果相吻合。进一步分析装置倒圆角及刻槽深度对壳体破裂效果及燃料分散速度的影响规律,结果表明:倒圆角与增加刻槽深度有利于减小壳体棱边处应力集中的影响,圆角半径增至10 mm或刻槽深度增至1.2 mm时,棱边处不再破裂;同一装置壳体边部和中部位置采用不同深度的刻槽可有效减少壳体破裂不均现象。当边缘处刻槽深度为1.2 mm、中间刻槽为1.6 mm时,壳体均匀破裂;当棱边处倒10 mm圆角,边部刻槽深度为0.8 mm,中部刻槽为1.2 mm时,抛撒装置既能满足壳体均匀开裂,又可提高壳体强度,同时可将燃料分散平均速度差值降低22%,从而有效提高燃料抛撒效率。