冲击作用下金属表面微喷射的分子动力学模拟

利用二维分子动力学程序,结合类紧束缚杂化多体势,研究冲击载荷下金属表面包含沟槽型缺陷的微喷射动力学过程.在产生微喷射以后,结果表明材料内部传播着两种波系:反射稀疏波和二次加载压缩波,其中,反射稀疏波波面与沟槽形状相似,而二次压缩波波面随沟槽夹角的变化而变化;并形成了两个压强区:负压区和正压区,负压区的存在表明材料中可能产生微损伤.同时,统计结果表明微喷射体的速度随沟槽半角增加而增加的趋势,微喷射体的粒子数随沟槽半角增大而减少的趋势,当沟槽半角大于60°,微喷射效应消失.以上计算结果可以定性说明射流是沟槽型 关键词： 冲击波 沟槽型缺陷 微喷射 分子动力学     

冲击压力及加载速率对沟槽微射流的影响

通过二维弹塑性流体力学欧拉程序MEPH,系统研究冲击压力及加载速率对沟槽微射流喷射量的影响.计算结果显示,微射流的喷射量随冲击压力的增大而增大,但喷射量对压力的变化并不敏感;计算结果和实验结果均表明,加载速率对沟槽微射流的喷射量有较大影响,随着加载速率的减小,微粒子喷射量大致按指数规律减少,所得数值计算结果得到实验验证.     

Morse团簇M_n(n=2-100)基态结构特性的模拟淬火算法研究

本文基于Morse两体势函数采用微正则系综分子动力学模拟淬火方法求解了Morse团簇M_n(n=2-100)的基态几何结构和能量.计算结果准确重复了剑桥数据库中已给出的M_n(n=5-80)团簇的最低能量值,体现出基于微正则系综的分子动力学模拟淬火方法在寻找团簇基态结构上的有效性.通过分析Morse团簇的平均束缚能、二阶差分能和一阶差分能、平均最近邻原子间距及平均配位数,得到n=13,19,23,26,39,46,55,71为团簇幻数数列,发现相较平均配位数的影响、团簇平均最近邻原子间距对Morse团簇基态结构的稳定性基本不产生作用.     

随机分布烟尘团簇粒子辐射特性研究

基于分形理论,采用蒙特卡罗方法对随机分布的烟尘团簇粒子结构进行了仿真模拟,利用离散偶极子近似(discrete dipole approximation, DDA)方法研究了随机分布的烟尘团簇粒子的辐射特性,分析讨论了分形维数、原始微粒粒径和数量以及复折射率对随机分布烟尘团簇粒子辐射特性的影响.研究表明,在给定分形维数的情况下,烟尘团簇粒子的辐射特性取决于原始微粒粒径、数量及复折射率;原始微粒较小的团簇粒子,当分形维数较小时,吸收截面变化不明显,但当分形维数大于2时,吸收截面骤然增大,然而,对于具有比较大的原始微粒粒径、数量及复折射率的烟尘团簇粒子,吸收截面随着分形维数的增大而单调递减;随着分形维数的增大,团簇粒子的散射截面、消光截面及单次散射反照率均单调递增;从整体上来讲,团簇粒子的辐射特性与等效球形粒子的辐射特性存在着比较大的差别,并且这种差别随着分形维数的增大而减小.该工作对研究气溶胶粒子的辐射及气候效应具有重要的科学价值. 关键词： 烟尘团簇粒子 辐射特性 离散偶极子近似方法     

SPH方法对金属表面微射流的数值模拟

 光滑粒子流体动力学（Smoothed Particle Hydrodynamics）方法是一种无网格的拉氏计算方法,具有计算格式简单、易于计算大变形问题等优势。用二维SPH程序模拟了冲击加载下金属铝表面的沟槽状缺陷产生微射流的过程,得到了喷射物的总质量、最大速度和质量-速度曲线。还计算了相同深度、不同夹角的沟槽微射流,并与实验结果进行了比较。结果表明：计算得到的喷射物总质量和最大速度与实验结果符合较好,SPH方法对于估算金属表面的微射流提供了一种有效的数值模拟手段。     

铜、银和铂原子纳米团簇负热容现象的分子动力学模拟研究

本文采用微正则分子动力学方法模拟研究了铂、铜和银原子纳米团族从固态到液态的熔化过程,得到热容量随温度变化关系,结果表明这三种金属纳米团簇在熔化过程中均出现了负热容现象,并通过对团簇热能随温度的变化关系以及团簇原子数径向分布的分析,探讨了产生负热容现象的微观机制.     

Morse团簇Mn（n=2-100）基态结构特性的模拟淬火算法研究

本文基于Morse两体势函数采用微正则系综分子动力学模拟淬火方法求解了Morse团簇Mn（n=2~100）的基态几何结构和能量．计算结果准确重复了剑桥数据库中已给出的Mn(n=5~80)团簇的最低能量值,体现出基于微正则系综的分子动力学模拟淬火方法在寻找团簇基态结构上的有效性．通过分析Morse团簇的平均束缚能、二阶差分能和一阶差分能、平均最近邻原子间距及平均配位数,得到n=13,19,23,26,39,46,55,71为团簇幻数数列,发现相较平均配位数的影响、团簇平均最近邻原子间距对Morse团簇基态结构的稳定性基本不产生作用．     

金原子纳米团簇的负热容现象的分子动力学模拟研究

文中采用微正则分子动力学方法模拟研究了原子数N=60到675之间的6种金原子纳米团簇从固态到液态的熔解过程,得到了势能和热容量随温度的变化关系.其结果表明,所模拟的6种团簇在熔点附近出现负热容,通过对这些团簇熔解前后的势能以及结构变化的分析,探讨了产生负热容的微观机制.     

金属钛中氦团簇融合的分子动力学模拟

运用分子动力学方法研究了金属钛中氦的扩散聚集行为.在300—800K的温度范围内,模拟了钛基底中氦团簇之间的融合过程.研究发现,温度的升高会加快氦团簇的融合.在300—800K,融合后的氦团簇在所模拟的时间尺度内三维结构保持不变.模拟结果还表明,常温下氦团簇之间的吸引力是导致氦团簇融合的重要因素. 关键词： 氦团簇 团簇融合 分子动力学模拟     

团簇红外吸收谱的理论研究

根据时间关联函数理论，可以结合分子动力学模拟而计算团簇的红外吸收谱. 应用正交紧束缚分子动力学模拟，计算了C₆₀的红外吸收谱. 结果与实验相符，足以识别团簇 体系的红外吸收谱. 这将是研究纳米团簇体系的有力理论分析工具. 关键词： 红外吸收谱 团簇 时间关联函数     

Molecular dynamics simulations of jet breakup and ejecta production from a grooved Cu surface under shock loading

Large-scale non-equilibrium molecular dynamics simulations are performed to explore the jet breakup and ejecta production of single crystal Cu with a triangular grooved surface defect under shock loading. The morphology of the jet breakup and ejecta formation is obtained where the ejecta clusters remain spherical after a long simulation time. The effects of shock strength as well as groove size on the steady size distribution of ejecta clusters are investigated. It is shown that the size distribution of ejecta exhibits a scaling power law independent of the simulated shock strengths and groove sizes. This distribution, which has been observed in many fragmentation processes, can be well described by percolation theory.     

Ejecta from periodic grooved Sn surface under unsupported shocks

Dynamic failure and ejection characteristics of a periodic grooved Sn surface under unsupported shock loading are studied using a smoothed particle hydrodynamics method. An "Eiffel Tower" spatial structure is observed, which is composed of high-speed jet tip, high-density jet slug, longitudinal tensile sparse zone, and complex broken zone between grooves. It is very different from the spike-bubble structure under supported shocks, and has been validated by detonation loading experiments. In comparison with that under supported shocks at the same peak pressure, the high-speed ejecta decreases obviously, whereas the truncated location of ejecta moves towards the interior of the sample and the total mass of ejecta increases due to the vast existence of low-speed broken materials. The shock wave profile determines mainly the total ejection amount, while the variation of V-groove angle will significantly alter the distribution of middle-and high-speed ejecta, and the maximum ejecta velocity has a linear correlation with the groove angle.     

激光加载下金属锡材料微喷颗粒与低密度泡沫混合实验研究

金属材料的微喷是冲击加载下金属表面发生的一种动态破碎现象,微喷研究在很多领域都具有重要意义,包括惯性约束聚变(ICF)和烟火制造等.由于激光实验特有的优势,近几年国内外开展了很多利用强激光驱动冲击加载研究材料微喷过程的实验.利用泡沫材料对微喷颗粒进行静态软回收虽然可以获得颗粒的形态分布、颗粒尺寸及颗粒质量等定量结果,但并不能反演微喷颗粒从进入泡沫到停滞过程中的动态混合过程.为此,在神光Ⅱ升级装置上利用皮秒脉冲激光照射金丝产生高能X射线,实现了对锡微喷颗粒与低密度泡沫混合过程的高时间分辨和高空间分辨背光照相.背光图像面密度结果证实微喷颗粒在泡沫中并没有发生二次破碎.静态回收结果表明,在锡材料与泡沫紧贴放置的情况下,微喷颗粒在泡沫中的穿透深度随着加载压强升高呈现先增大后减小的规律,与非紧贴放置的实验结果有明显的差别.     

微喷加载装置中爆轰波阵面的测量

 根据金属材料微喷射激光全息诊断技术的要求,提出了一种测量微喷加载装置中爆轰波波前形状的实验方法,利用快响应光纤探针阵列来测量传爆药柱加载飞片的冲击波波前形状,并根据所得的实验数据用计算机模拟出爆轰波波前的形状,给出冲击波到达飞片上表面的时间分散性曲线。     

二维拉格朗日坐标系下气粒混合双向耦合对激波流场影响的计算

喷射颗粒与气体混合是内爆压缩领域的热点和难点. 针对喷射混合中的气粒双向耦合问题, 开展了理论建模、离散算法以及颗粒反馈对激波流场的影响研究. 建立了拉格朗日计算框架下的数学模型; 给出了耦合源项的离散算法; 开展了平面及汇聚构型条件下, 气粒双向耦合的数值模拟研究; 发现了颗粒反馈导致气体激波提速现象以及气区流场物理量分布形态的改变, 初步获得了量化分析结果. 本文建立的数学模型、计算方法和获得的新的物理认识, 为深入理解喷射混合现象、解决相关工程应用问题提供了重要理论支撑.     

熔化状态下金属样品表面的微喷射问题

熔化状态下金属样品表面微喷物质的时空演化规律是目前国内外研究关注的热点问题,不过,由于压电石英计等传统诊断技术能力的限制,导致目前对该问题的认识仍存在明显不足.本文采用作者前期发展的大量程Asay-F窗技术,结合传统压电石英计,通过将其布置在距受载Sn样品自由面不同高度位置处的方法,系统研究了熔化Sn样品表面微喷物质的运动演化规律,给出了特定时刻微喷物质的密度-空间分布图像.本文研究结果从实验上确认了微喷物质时空演化过程中的"自相似膨胀"规律,成功避免了传统压电石英计由于测量量程偏低导致其获取物理认识不够全面的问题,为认识动载下金属材料的微喷运动演化规律提供了重要实验支撑.     

Ejection of heavy elements from the stellar core to the periphery of the cloud of ejecta during a supernova explosion: A possible model of the processes

The possibility of simulating the processes during supernova explosions in laboratory conditions using powerful lasers (laboratory astrophysics) is investigated. The Chandra observations of ejecta in the Cassiopeia A supernova remnant are analyzed. Based on the DIANA and NUTCY numerical codes, we have performed 1D and 2D hydrodynamic simulations of the ejecta expansion dynamics for a supernova with a mass of ～5–15 solar masses within several hundred seconds after its explosion, including an initial asymmetry. We propose a model for the explosion and expansion of ejecta that illustrates strong inhomogeneities in the distribution of material to the extent that the Fe, Si, and S material from the stellar center turns out to be ejected to the periphery, the “star turns inside out,” in agreement with observations. Based on hydrodynamic similarity criteria, we consider possible supernova-simulating laser targets that will allow one to reproduce the physical processes that take place during the explosion of an astrophysical object, such as the shock propagation through the material, the growth of hydrodynamic instabilities at the boundaries of envelopes with different densities, etc.     

Reconstruction and interpretation of photon Doppler velocimetry spectrum for ejecta particles from shock-loaded sample in vacuum

The photon Doppler velocimetry(PDV) spectrum is investigated in an attempt to reveal the particle parameters of ejecta from shock-loaded samples in a vacuum. A GPU-accelerated Monte–Carlo algorithm, which considers the multiplescattering effects of light, is applied to reconstruct the light field of the ejecta and simulate the corresponding PDV spectrum.The influence of the velocity profile, total area mass, and particle size of the ejecta on the simulated spectra is discussed qualitatively. To facilitate a quantitative discussion, a novel theoretical optical model is proposed in which the singlescattering assumption is applied. With this model, the relationships between the particle parameters of ejecta and the peak information of the PDV spectrum are derived, enabling direct extraction of the particle parameters from the PDV spectrum.The values of the ejecta parameters estimated from the experimental spectrum are in good agreement with those measured by a piezoelectric probe.     

Focusing of an oscillating shock wave emitted by a toroidal bubble cloud

An analysis of pressure-field dynamics is performed for an axially symmetric problem of interaction between a shock wave and a “free” bubble system (toroidal cluster) giving rise to a steady oscillating shock wave. The results of a numerical study of near-axis wave structure are presented for a focusing shock wave emitted by a bubble cluster. It is shown that the wave reflected from the axis has irregular structure. The Mach disk developing on the axis has a core of finite thickness with a nonuniform radial pressure distribution. The evolution of the Mach-disk core is analyzed, and the maximum pressure in the core is computed as a function of the gas volume fraction in the cluster. The effect of geometric parameters of the toroidal bubble cloud on the cumulative effect is examined.