软X射线激光探针诊断高$lt;i$gt;Z$lt;/i$gt;材料等离子体

激光辐照靶产生的等离子体电子密度的诊断对于惯性约束聚变、高能量密度物理等相关领域的研究具有重要意义,特别是高Z材料等离子体临界面附近的电子密度分布信息的测量. 利用软X射线激光作为探针是诊断等离子体电子密度分布的一种重要方法,但在诊断激光辐照高Z材料产生的等离子体研究中,遇到了高Z材料等离子体自发辐射过大的问题,难以开展. 为此,针对软X射线激光的特点,发展了多种具体的实验技术. 通过综合利用这些技术,大大的抑制了待测等离子体自发辐射对信号的影响,使得软X射线激光探针诊断高Z材料等离子体成为可能. 作为典型例子,实验诊断了激光辐照金平面靶的等离子体,获得了清晰的实验图像,表明相关的技术是有效和可行的. 关键词： 等离子体诊断 激光探针技术 软X射线激光 Z材料等离子体')" href="#">高Z材料等离子体     

B$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;$lt;/sub$gt;Y($lt;i$gt;n$lt;/i$gt;=1–11)团簇的结构和电子性质

利用密度泛函理论TPSSh方法对B采用6-311+G(d), 对Y采用Lanl2dz相对论有效势基组, 研究了B_nY (n=1–11)团簇的平均结合能、二阶能量差分、最高分子占据轨道和最低空轨道之间的能级间隙、极化率和第一静态超极化率等物理化学性质. 结果表明, 随着尺寸的增大, B_nY (n=1–11)团簇的最低能量结构从平面逐步演变为立体结构. 随硼原子数n的增加, 团簇的平均结合能表明了较好的热力学稳定性, 有利于Y掺杂B团簇形成较大的块体材料.二阶能量差分表明基态B₃Y, B₅Y和B₇Y团簇较相邻团簇稳定. 能隙表明了基态B₃Y, B₅Y, B₇Y和B₉Y的化学稳定性较高. 综合说明B_nY (n=1–11)硼团簇中, 基态B₃Y, B₅Y和B₇Y具有较好的稳定性. 极化率表明基态B_nY团簇的电子结构随B原子的增加趋于紧凑, 第一静态超极化率表明基态B₅Y, B₄Y, B₃Y和B₆Y平面结构的团簇具有明显的非线性光学性质, 为寻找性能优异的非线性光学材料提供了一定的参考. 关键词： 密度泛函TPSSh方法 nY (n=1–')" href="#">B_nY (n=1– 11)团簇 几何结构 电子性质     

MC与$lt;i$gt;M$lt;/i$gt;$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;+1$lt;/sub$gt;$lt;i$gt;AC$lt;/i$gt;$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;$lt;/sub$gt;稳定性与电子特征的第一性原理研究

研究MC与M_n+1AC_n(M=Sc, Ti, V, Cr, Mn; A=Al, Si, P, S; n=1, 2, 3)结构的稳定性与电子特征有利于探究三元层状结构M_n+1AC_n稳定性的内在原因和设计新型M_n+1AC_n结构. 第一性原理计算研究表明, M-3d与C-2p轨道间的电子转移对MC与M_n+1AC_n 的形成焓有较大影响. 供电子能力较强的前过渡金属可以形成稳定的MC结构. 计算结果显示, MC结构是缺电子体系, 其趋向于与具有一定供电子能力的MA结构结合形成M_n+1AC_n. 与M₂PC和M₂SC 相比, M₂AlC和M₂SiC可以更为容易地被分离成二维 M₂C结构. 关键词： MAX相结构 第一性原理 电子结构 过渡金属碳化物     

Ti$lt;sub$gt;2$lt;/sub$gt;B$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;$lt;/sub$gt;($lt;i$gt;n$lt;/i$gt;=1–10)团簇的结构与稳定性:基于从头算的研究

采用密度泛函理论中的B3LYP方法, 结合从头算的CCSD(T)方法对Ti₂B_n(n=1–10)团簇的稳定性和电子性质进行了研究. 发现两个Ti原子的掺杂导致B_n团簇结构发生了根本性变化. 随着n的增大, Ti₂B_n团簇结构生长非常规律. 所有的最稳定结构都可看成双锥结构, 并且两个Ti原子处在双锥结构的锥顶. 根据二阶差分能量分析, 得出Ti₂B_n(n=1–10)团簇的幻数是6, 7和8. 进一步分析了团簇的Ti原子解离能、B原子解离能以及团簇的电子亲和势和电离势. 这些能量分析表明Ti₂B₆团簇既有良好的热力学稳定性, 又有良好的动力学稳定性. 应用前线轨道理论, 对Ti原子与B₆之间的成键进行了分析, 了解其稳定性的根源. 关键词： 2B_n团簇')" href="#">Ti₂B_n团簇 稳定性 从头计算 电子结构     

二维完全阻挫$lt;i$gt;XY$lt;/i$gt;模型的动力学指数

采用大规模动力学蒙特卡罗模拟方法,对二维完全阻挫XY模型的Kosterlitz-Thouless（KT）型相变展开数值研究.系统从有序初始态出发演化到高于KT相变的温度,以普适的动力学标度形式为基础,通过测量磁化和Binder累积量,得出动力学关联时间和平衡态空间关联长度,确定出更精确的动力学指数z.特别是建议并证实了一种在KT相变温度以上（T>T_KT）,独立判断动力学指数z的方法.模拟结果表明,动力学指数z≈2,这与在相变温度以下（T<T_KT）测量的结果一致. 关键词： 蒙特卡罗法 动力学指数 Kosterlitz-Thouless相变 XY模型')" href="#">二维完全阻挫XY模型     

Zn$lt;sub$gt;1-$lt;i$gt;x$lt;/i$gt;$lt;/sub$gt;Mg$lt;sub$gt;$lt;i$gt;x$lt;/i$gt;$lt;/sub$gt;O薄膜的光致发光特性研究

采用脉冲激光沉积方法在单晶Si（100）衬底上制备出c轴取向的Zn_1-xMg_xO单晶薄膜,通过荧光光谱仪研究了薄膜的光致发光特性.实验结果表明,Mg含量增加,Zn_1-xMg_xO单晶薄膜的紫外发光峰蓝移,发光峰强度减弱,缺陷发光强度增强.同时发现,由于Mg的掺杂,引入了一些束缚能较大的局域束缚态.对于氧气氛下制备的样品,实验发现紫外峰和绿光带发光峰同时增强,但是R值减小,紫外峰红移.对绿光发光机理研究发现,绿光发光带主要与锌空位、氧间隙（O_i）或锌位氧（O_Zn）等缺陷有关,它是由多个缺陷发光峰组成,各缺陷发光峰强度相对变化导致了绿光发光带的整体移动. 关键词： 1-xMg_xO薄膜')" href="#">Zn_1-xMg_xO薄膜 光致发光 脉冲激光沉积     

B$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;$lt;/sub$gt;($lt;i$gt;n$lt;/i$gt;=2—15)团簇的几何结构和电子性质

应用密度泛函理论中的B3LYP方法计算并分析了不同生长模式下B_n（n=2—15）团簇的几何结构及电子性质. 同时,比较和讨论了不同生长模式下硼团簇的原子束缚能、能级间隙和第一电离势. 研究表明：直线构型稳定性最低,金属性较强,尤其在n=8时能隙仅有0.061 eV,说明该团簇已具有金属特征. 平面或准平面构型稳定性最高,非金属性强. 立体构型的稳定性与金属性介于直线和平面构型之间. 另外,还讨论了基态团簇的束缚能、能量二阶差分、能级间隙和第一电离势随团簇尺寸的变化,结果表明B₁₂与B₁₄是幻数团簇. 关键词： n团簇')" href="#">B_n团簇 密度泛函理论 几何结构 电子性质     

相位物体$lt;i$gt;Z$lt;/i$gt;-扫描研究金属簇合物［$lt;i$gt;Tp$lt;/i$gt;*W($lt;i$gt;μ$lt;/i$gt;$lt;sub$gt;3$lt;/sub$gt;-S)$lt;sub$gt;3$lt;/sub$gt;Cu$lt;sub$gt;3$lt;/sub$gt;$lt;i$gt;Py$lt;/i$gt;$lt;sub$gt;3$lt;/sub$gt;($lt;i$gt;μ$lt;/i$gt;$lt;sub$gt;3$lt;/sub$gt;-Br)］($lt;i$gt;PF$lt;/i$gt;$lt;sub$gt;6$lt;/sub$gt;)/DMF溶液的瞬态热致非线性折射

在纳秒时域,采用相位物体（PO）Z-扫描技术研究了一种新型金属簇合物溶液的瞬态热致非线性效应.该方法的最大优点是很容易区分瞬态热致非线性折射和三阶非线性折射.本文利用PO Z-扫描和传统Z-扫描研究了在8 ns脉宽、不同能量激光脉冲作用下［Tp*W（μ₃-S）₃Cu₃Py₃（μ₃-Br）］（PF₆）/DMF溶液的光学非线性.从声波方程和热传导方程出发,对实验结果进行了理论分析和数值模拟,理论值和实验结果很好的吻合.研究结果表明,样品溶液的非线性折射主要来源于瞬态热致非线性效应. 关键词： Z-扫描')" href="#">相位物体 Z-扫描 瞬态热致非线性折射 光克尔效应 DMF     

强扰动能区非全裸C$lt;sup$gt;$lt;i$gt;q$lt;/i$gt;+$lt;/sup$gt;，O$lt;sup$gt;$lt;i$gt;q$lt;/i$gt;+$lt;/sup$gt;($lt;i$gt;q$lt;/i$gt;=1—4)与He原子碰撞过程中截面比的实验研究

利用兰州大学2×1.7 MV串列加速器离子-原子碰撞实验终端上产生的单核子能量为20—500 keV的C^q+和O^q+（q=1—4）离子与He原子碰撞.采用符合测量方法和多参数数据获取系统得到了散射离子与反冲离子电荷态的二维谱,从而分别得到直接电离、入射离子俘获电子和入射离子损失电子截面与总截面的截面比R^direct, R^capture和R^loss,并对强扰动能区的各个反应道之间竞争关系及同一反应道在不同碰撞体系中所表现出的实验规律进行了比较和定性分析. 关键词： 离子-原子碰撞 截面比 竞争关系 强扰动区     

金属有机物化学气相沉积生长的$lt;i$gt;a$lt;/i$gt;(1120)面GaN三角坑缺陷的消除研究

用金属有机物化学气相沉积方法在r面蓝宝石上生长了非极性a面GaN薄膜,通过采用AlGaN多量子阱插入层,得到了高质量的非极性GaN材料. 用原子力显微镜和高分辨X射线衍射仪研究了a面GaN的表面形貌和结晶质量,发现非极性材料上典型的三角坑缺陷被消除,（1120）面X射线双晶摇摆曲线的半峰宽为680″. 关键词： GaN 原子力显微镜 高分辨X射线衍射仪 非极性     

Strength and failure of cemented granular matter

Cemented granular materials (CGMs) consist of densely packed solid particles and a pore-filling solid matrix sticking to the particles. We use a sub-particle lattice discretization method to investigate the particle-scale origins of strength and failure properties of CGMs. We show that jamming of the particles leads to highly inhomogeneous stress fields. The stress probability density functions are increasingly wider for a decreasing matrix volume fraction, the stresses being more and more concentrated in the interparticle contact zones with an exponential distribution as in cohesionless granular media. Under uniaxial loading, pronounced asymmetry can occur between tension and compression both in strength and in the initial stiffness as a result of the presence of bare contacts (with no matrix interposed) between the particles. Damage growth is analyzed by considering the evolution of stiffness degradation and the number of broken bonds in the particle phase. A brutal degradation appears in tension as a consequence of brittle fracture in contrast to the more progressive nature of damage growth in compression. We also carry out a detailed parametric study in order to assess the combined influence of the matrix volume fraction and particle-matrix adherence. Three regimes of crack propagation can be distinguished corresponding to no particle damage, particle abrasion and particle fragmentation, respectively. We find that particle damage scales well with the relative toughness of the particle-matrix interface with respect to the particle toughness. This relative toughness is a function of both matrix volume fraction and particle-matrix adherence and it appears therefore to be the unique control parameter governing transition from soft to hard behavior.     

Characterization of Elastic Modulus of Granular Materials in a New Designed Uniaxial Oedometric System

A simple uniaxial oedometric system is developed to test the elastic modulus of granular materials.The stressstrain relationship is first measured under conditions of uniaxial compression with additional lateral stress and strain,then the elastic modulus of the material is determined by the linear fitting method.It is found that the modulus is positively correlated to the grain size and negatively correlated to the container size.Arching and dragging are revealed to be the mechanism of such correlations by using the digital image correlation method and the pressure film technology based on the statistical method.     

韧性材料的微裂纹扩展与分叉的晶体相场模拟

采用晶体相场方法研究韧性单晶材料在双轴拉伸条件下微裂纹扩展与分叉的演化过程,分析应变、温度、初始裂口形状等因素对裂纹扩展和分叉的影响.结果表明:对于简单的单向拉伸,应变需要达到一定的临界值,裂纹扩展才会启动.对于二组相互垂直的双轴拉伸作用,当应变达到临界值后,裂纹扩展过程中会发生分叉现象.温度越高,裂纹扩展越快且分叉越多.裂纹在扩展过程中,体系能量不断降低,当裂纹出现分叉时,体系能量降低得更快.在裂纹扩展过程中,有时是会在裂尖处前方出现微小的空洞,类似在裂纹尖端前方出现位错发射情况,这些微小的空洞逐渐扩大连成裂纹.本文所得结果与相关模拟结果和实验结果符合.     

Electroelastic behaviour of an annular interfacial crack between dissimilar piezoelectric layers

An annular interfacial crack between dissimilar piezoelectric layers subjected to electroelastic loadings was investigated under an electrically impermeable boundary condition on the crack surface by using the Hankel transform technique and the Cauchy singular integral equation method. The stress intensity factors and energy release rates were determined. Numerical results reveal the effects of crack configuration, electric loads and material parameters on crack propagation and growth. The results should be useful for the design of piezoelectric composite structures and devices of high performance.     

An energy-equilibrium model for complex stress effect on fatigue crack initiation

Based on Tanaka and Mura’s fatigue model and Griffith theory for fracture,an energy-equilibrium model was proposed to explain the complex stress effect on fatigue behavior.When the summation of the elastic strain energy release and the stored strain energy of accumulated dislocations reach the surface energy of a crack,the fatigue crack will initiate in materials.According to this model,for multiaxial stress condition,the orientation of the crack initiation and the initiation life can be deduced from the energy equilibrium equation.For the uniaxial fatigue loading with mean stress,the relation between the maximum stress or the minimum stress and the stress amplitude is in agreement with an ellipse equation on the constant life diagram.If the ratio of the mean stress to stress amplitude is less than a critical value-0.17,and the stress amplitude keeps constant,the fatigue crack initiation life will decrease with the increase of the compress mean stress.In this model,the mean stress does not cause damage accumulation with the fatigue cycles in crack initiation.For this reason,the loading sequence of different load levels would induce the cumulative damage to deviate from the Palmgren-Miner cumulative damage rule.The procedure of estimating the damage under random loading is also discussed.     

Stress fluctuations and macroscopic stick-slip in granular materials

This paper deals with the quasi-static regime of deformation of granular matter. It investigates the size of the Representative Elementary Volume (REV), which is the minimum packing size above which the macroscopic mechanical behaviour of granular materials can be defined from averaging. The first part uses typical results from recent literature and finds that the minimum REV contains in general 10 grains; this result holds true either for most experiments or for Discrete Element Method (DEM) simulation. This appears to be quite small. However, the second part gives a counterexample, which has been found when investigating uniaxial compression of glass spheres which exhibit stick-slip; we show in this case that the minimum REV becomes 10⁷ grains. This makes the system not computable by DEM. Moreover, similarity between the Richter law of seism and the exponential statistics of stick-slip is stressed. Received 8 March 2002 and Received in final form 12 July 2002     

双横波声速法检测单向受压混凝土构件永存应力*

该文力求寻找一种高效准确检测混凝土构件永存应力的方法。基于声弹性理论提出了一种双横波声速法检测单向受压混凝土构件永存应力的方法,该方法通过测试受力构件第一波速和第二波速,以第一波速和第二波速的平方差为基础构建综合声学参数来检测单向受压混凝土构件永存应力。所述第一波速为声波传播方向与应力方向垂直、质点振动方向与应力方向平行的横波波速,第二波速为声波传播方向及质点振动方向均与应力方向垂直的横波波速。实验结果显示,该声学参数用于检测混凝土单向受压构件永存应力的效果与使用单一声速参数相比,对应力的敏感性有所提高,受混凝土黏滞性及材质离散性的影响更小,并且测试结果基本不受温度和湿度变化影响。     

B掺入Cu∑5晶界间隙位性质的第一性原理研究

本文采用第一性原理方法对清洁Cu∑5晶界与有B掺杂 到间隙位的Cu∑5晶界进 行了拉伸和压缩的模拟研究. 结果分析表明, Cu∑ 5晶界结合因B的掺入得到加强. 清洁Cu∑5晶界处因有较大空隙而存在电子密度低的区域, 晶界结合相对较弱, 在拉伸过程中晶界从其界面处开始断裂. 有B掺杂在间隙位的Cu∑5晶界电子由Cu向Cu-B间积聚, 晶界结合相对较强, 拉伸时晶界从其近邻原子层开始断裂. 在形变小于20%的压缩过程中, B的掺入未对晶界产生明显影响. 关键词： 第一性原理 Cu晶界 B掺杂 拉伸压缩     

Variation in electromagnetic radiation during plastic deformation under tension and compression of metals

This paper presents some significant variations in the intermittent electromagnetic radiation (EMR) during plastic deformation under tension and compression of some metals with selected crystal structure, viz. zinc, hexagonal closed packed (hcp), copper, face-centred cubic (fcc: stacking fault energy 0.08 J/m²), aluminium (fcc: stacking fault energy 0.2 J/m²) and 0.18 % carbon steel, body-centred cubic (bcc). The intermittent EMR signals starting near yielding are either oscillatory or exponential under both modes of deformation except a very few intermediate signals, random in nature, in zinc under compression. The number and amplitude of EMR signals exhibit marked variations under tension and compression. The smooth correlation between elastic strain energy release rate and average EMR energy release rate suggests a novel technique to determine the fracture toughness of metals. The first EMR emission amplitude and EMR energy release rate occurring near the yield increase, but maximum EMR energy burst frequency decreases almost linearly with increase in Debye temperature of the metals under tension while all EMR parameters decrease nonlinearly under compression. These results can be developed into a new technique to evaluate dislocation velocity. The EMR amplitude and energy release rate of the first EMR emission vary parabolically showing a maxima with increase in electronic heat constant of the metals under tension while they first sharply decrease and then become asymptotic during compression. However, the variation in EMR maximum energy burst frequency is apparently similar under both modes of deformation. These results strongly suggest that the mechanism of EMR emission during plastic deformation of metals involves not only the interaction of conduction electrons with the lattice periodic potential as presented in the previous theoretical models but also the interaction of conduction electrons with phonons. However, during crack propagation and fracture, charge oscillations at fractured surfaces due to breaking of atomic bonds constitute an additional factor.     

多孔脆性材料对高能量密度脉冲的吸收和抵抗能力

作用在脆性结构材料表面的高能量密度脉冲会以冲击波的形式传播进入材料内部, 导致压缩破坏和功能失效. 通过设计并引入微孔洞, 显著增强了脆性材料冲击下的塑性变形能力, 从而使脆性结构材料可以有效地吸收耗散冲击波能量, 并抑制冲击诱导裂纹的扩展贯通. 建立格点-弹簧模型并用于模拟研究致密和多孔脆性材料在高能量密度脉冲加载下的冲击塑性机理、能量吸收耗散过程和裂纹扩展过程. 冲击波压缩下孔洞塌缩, 导致体积收缩变形和滑移以及转动变形, 使得多孔脆性材料表现出显著的冲击塑性. 对致密样品、气孔率5%和10%的多孔样品吸能能力的计算表明, 多孔脆性材料吸收耗散高能量密度脉冲的能力远优于致密脆性材料. 在短脉冲加载下, 相较于遭受整体破坏的致密脆性材料, 多孔脆性材料以增加局部区域的损伤程度为代价, 阻止了严重的冲击破坏扩展贯通整个样品, 避免了材料的整体功能失效.