相场再结晶储能释放模型与显微组织演变的模拟研究

在相场再结晶模型中提出了形式为 f(η_i^k,η_j^k) = E_s (η_i^de )² (1-(η_j^re)²)的冷变形储能项,并应用该模型模拟了 AZ31镁合金的再结晶过程,模拟结果和实验观测结果符合很好.研究表明, 引入储能释放模型可以实现再结晶形核物理过程的模拟; 模拟结果可以把合金在冷变形后退火的过程按照机理分为再结晶和热晶粒 长大两个阶段,模拟得出的理论再结晶时间是实验再结晶时间的2/3. 考察了冷变形应变大小对形变金属的亚晶粒尺寸和储能的影响机理和 试验结果,并将考察结果代入到改进后的再结晶模拟模型, 成功地再现了一个经典实验结果:随预先应变量的增加, 存在临界应变量对应的一个再结晶晶粒尺寸峰值.同时还给出了 这一经典实验结果的理论解释.     

Fe-C合金中形变诱导动态相变的蒙特卡罗模拟

采用蒙特卡罗（MC）方法模拟了Fe-C合金在奥氏体-铁素体相变的平衡温度之上的形变诱导动态相变过程.通过建立合适的MC规则,在一个MC模型中同时实现了奥氏体-铁素体相变、铁素体-奥氏体逆相变以及奥氏体动态再结晶过程的模拟.同时,一个基于矢量变换的拓扑模型被嵌入此MC相变模型,用来跟踪由于塑性变形导致的晶粒形貌变化.在此基础上模拟分析了动态相变过程中铁素体的形成特点,讨论了由于相变、逆相变和动态再结晶交互作用所带来的影响. 关键词： 形变诱导动态相变 蒙特卡罗模型 动态再结晶 介观模拟     

CC5083与CC5182铝合金冷轧与再结晶后偏光金相观察组织和X射线检测织构对比研究

连续冷却铸造5083铝合金板较大塑性变形量冷轧后的组织、织构及性能与再结晶处理工艺关系的研究有限。对冷轧压下量约为91.5%的CC5083与CC5182铝合金板分别进行室温入箱式电炉、随炉不限速升温到不同温度退火2 h和分别进行直接入不同温度盐炉退火30 min、出炉水冷至室温后,采用偏光金相显微镜观察组织、采用X射线衍射检测织构,进一步对比研究较大压下量冷轧后退火工艺与再结晶组织和织构关系。结果显示：(1)电炉退火CC5083铝合金板的再结晶开始及晶粒长大温度为343 ℃,晶粒长大后形状为长条状(创新点);盐炉退火CC5083铝合金板的再结晶开始温度为343 ℃;二者再结晶完成温度都为371 ℃。(2)CC5182铝合金板分别在电炉与盐炉454 ℃以上退火,晶粒开始显著长大;电炉退火与盐炉退火CC5083铝合金板再结晶开始温度分别高于电炉与盐炉退火的CC5182铝合金板,盐炉退火CC5083铝合金板再结晶晶粒长大温度高于另外三种方式退火;CC5182铝合金板盐炉退火再结晶晶粒长大温度高于电炉退火的。CC5083和CC5182铝合金冷轧板表层再结晶及再结晶晶粒长大温度明显高于内层的(创新点)。(3)四种方式退火再结晶晶粒长大温度及相同温度退火时织构转变程度有差异(创新点);退火过程中织构检测结果与金相组织观察结果反映的再结晶进程不很一致。     

非线性漂移的Fokker-Planck方程的近似非定态解

研究了由高斯白噪声和色噪声作用下的非线性动力学系统的不稳定态演化问题. 在弱噪声极限下, 运用本征值本征矢理论得到了非定态解ρ(x, t)的近似表达式; 分析了色噪声自关联时间τ, 强度α对ρ(x, t)以及对一、二阶矩的影响. 数值模拟发现: 1)t在一定范围内, ρ(x, t)是变量x和t的单调函数, 且随τ的增大而增大, 反之, 随α的增大而减小; 2)一阶矩是τ和α的单调函数, 但二阶矩却是非单调函数, 在参数影响下发生了相变现象. 关键词： 奥恩斯坦-乌伦贝克过程 本征值 本征矢 非定态解     

体心立方金属W薄膜晶体取向的膜厚尺寸效应及其表面映射

体心立方W膜(110)织构系数T₁₁₀的变化存在非单调的厚度尺寸效应，这依赖于薄膜中晶粒形核和长大时表面能和应变能的相互作用，薄膜表面结构演变反映了两者的竞争过程.应用小波变换结合分形几何描述薄膜表面结构各向异性行为，用此法构建了薄膜织构系数T₁₁₀与表面结构各向异性的关系，表明薄膜晶体取向存在表面映射. 关键词： 金属薄膜 晶体取向 膜厚 表面形貌     

轮烯衍生物电子结构及三阶非线性光学性质的理论研究

苯轮烯衍生物具有良好的非线性光学性质. 运用密度泛函理论在不同理论水平和不同基组下计算了轮烯衍生物的静态极化率α和静态第二超极化率γ. 采用含时密度泛函TD-B3LYP方法计算了轮烯分子的紫外吸收光谱. 结果发现: 弥散函数对静态线性极化率α和第二超极化率γ 的计算结果都有显著的影响; 共轭体系的大小和引入的推拉电子基团可以调节轮烯衍生物的第二超极化率. 添加推拉电子基团后不仅能得到更高的非线性光学系数, 也能保证有较好的透光性能, 表明轮稀分子兼具有较高的三阶非线性光学响应和在可见光波段具有良好的透光性的特性. 此外, 采用CAM-B3LYP方法计算了分子1-1和分子2-2的动态(超)极化率. 计算结果表明: 在近红外区, 随着入射光频率的增大, α (ω; ω), γ (-ω; ω, 0, 0) 和γ (-2ω; ω, ω, 0) 都随之增大, 出现近共振增强效应; 在远离共振条件下, α (ω; ω), γ (-ω; ω, 0, 0) 和γ (-2ω; ω, ω, 0) 变化平缓.     

标准线性固体材料中球面应力波传播特征研究

基于标准线性固体模型, 结合球面波波动方程, 给出了球面应力波的粒子速度v、粒子位移u、径向应力σ_r、切向应力σ_θ、径向应变ε_r、切向应变ε_θ、折合速度势、折合位移势在Laplace域的理论解. 采用基于Crump算法的Laplace数值逆变换方法分析了上述物理量的传播特征. Laplace数值反演结果表明, 线黏弹性材料对强间断球面应力波的初始响应为纯弹性响应, 强间断在传播过程中包含了几何衰减和本构黏性衰减, 应力、应变、粒子速度的衰减特性和粒子位移、应力、应变、折合位移势等物理量的稳态值同黏弹性球面波的理论预测一致. 折合速度势和折合位移势的峰值随波传播距离的增加逐渐衰减, 这与理想弹性理论给出的折合速度势和折合位移势不随传播距离变化的结论不同. 折合位移势的稳态值与介质的静态剪切模量成反比, 与稳态空腔压力成正比, 与空腔半径的三次方成正比.     

晶体相场方法研究二维六角相向正方相结构转变

应用双模PFC模型,计算二维PFC相图,模拟二维六角晶格向正方晶格的结构转变过程, 观察新相(二维正方相)的形核、长大特点,以及相结构转变的动力学特征. 结果表明:六角结构相向正方结构相的转变,正方相最易在六角相晶界处, 尤其是在三晶粒的交汇处首先生成正方相的晶核,之后是正方相逐渐通过吞噬六角相的边缘, 向六角相内部推进,并不断长大.对于结构转变生成的正方相晶粒,其晶粒取向几乎是随机的, 与原先六角相晶粒取向角没有明显的关系.正方相转变的面积分数随时间变化的动力学曲线 呈现典型的"S"形.由Avrami曲线可将相变曲线看成由两阶段组成. 计算模拟得到的Avrami曲线的第二阶段直线斜率K的范围在2.0和3.0之间, 与JMAK理论的指数n相符合. 关键词： 结构转变 晶体相场 相图 晶粒取向     

基于旋转波片的斯托克斯参量检测与精度分析

用于偏振光学遥感器定标的参考光源,其偏振态的检测精度会直接影响偏振光学遥感器的定标精度,进而影响目标特性的反演水平。选用870 nm波段的水平线偏振光作为被测试的定标参考光源,通过旋转1/4波片(quarter-wave plate, QWP)对其光强进行调制。调制光强可表达为波片快轴旋转角度的傅里叶级数,采用傅里叶变换法反演出级数的系数,根据该系数即可计算出被测试光源的Stokes参量。给出10次测量各参量及偏振度的平均值、标准偏差、合成不确定度以及测量平均值与理论值的相对偏差。为提高测试精度,通过对波片快轴初始定位角度偏差Δα、延迟量偏差Δδ与检偏器透光轴角度偏差Δβ进行分析,提出了偏差修正模型。该模型通过Stokes参量检测偏差随Δδ和Δβ的变化趋势及实际偏差值,确定Δδ和Δβ的大小。结合模拟出的波片快轴初始定位角度偏差Δα,对实验装置加以调整,再次对光源的偏振态进行检测。结果表明,基于该修正模型测得光源的各Stokes参量与理论值最大偏差从未经修正的3.77%降低至1.41%。证实了基于本实验的原理、装置、测量方法及所提出的偏差修正模型可有效提高定标参考光源偏振态检测的精度。     

铁硅合金中立方织构的形成

铁硅合金(含硅3.25％)的样品,经过不同的冷轧和中间退火程序,在最后高温退火时,可以通过二次再结晶,或者一次再结晶形成集中的立方织构。通过二次再结晶形成立方织构时,并不包括重新形核的过程。(100)[001]取向的二次再结晶“晶核”,在一次再结晶完成后,就已经存在。通过一次再结晶形成的立方织构,由于样品在冷轧后,得到了较强的加工立方织构,退火时通过同位再结晶,就得到了再结晶立方织构。     

Influence of precipitate-assisted nucleation on the microstructure and mechanical properties of Al-Mg-Si-Cu-Zn alloys

The influence of precipitation on the recrystallization nucleation and mechanical properties of Al-Mg-Si-Cu-Zn alloys was investigated by means of tensile tests, SEM, TEM, XRD and EBSD. The results reveal that there are distinct contributions from the various precipitates that form during annealing and that these critically influence the evolution of microstructure and its associated texture, as well as mechanical behaviour. In contrast to alloy sheets A, B, and C annealed at a lower temperature or for a shorter time, the T4P alloy sheet D with an annealing at 450°C for 3?h not only possesses almost identical strength and elongation, but also a higher average r (0.659) and n (0.313) values, and also a lower Δr (0.091) value. After solution treatment, the four alloy sheets are comprised of equiaxed grains with somewhat different grain sizes and different textures, but texture volume fraction and grain size in alloy sheet D both are decreased due to the effect of precipitate-assisted nucleation during solution treatment. The corresponding nucleation and growth mechanisms of recrystallization grains were established and the relationship between textures and r value in the four alloy sheets was also analyzed on the basis of a Visco-plastic self-consistent (VPSC) model.     

The Migration of High Angle Grain Boundaries during Recrystallization

When plastically deformed metallic materials are annealed, new strain free grains emerge from the microstructure and grow by means of grain boundary migration until the deformation microstructure is eliminated. This process is called recrystallization. In this paper the various methods by which grain boundary migration rates are measured stereologically in order to characterize the growth process are described and compared using illustrations from recrystallization experiments on commercial AA1050 aluminum. It seems abundantly clear that during recrystallization of cold-deformed materials, isothermal grain boundary migration rates decrease with time and reasons for such a decrease are discussed. A new methodology whereby migration rates of the individual recrystallization texture components may be quantified by combining stereology and orientation imaging by the electron back scattered pattern analysis is outlined. By illustration, recent experiments on aluminum and copper are summarized documenting the slight growth rate advantage the cube texture component (001)[100] possesses during recrystallization of cold rolled material. The role of orientation pinning effects on grain boundary migration is described briefly. It appears that such pinning effects allow recrystallized grains emerging from the weaker deformation texture components to enjoy an average growth rate advantage over those emerging from the stronger deformation texture components.     

Thermally Induced Changes of Interphase Boundary Morphology in Coherent A/B Multilayers: A Monte Carlo Simulation

The evolution of the interphase boundary morphology during annealing of nanoscale metallic A/B multilayers is studied by means of Monte Carlo simulations based on a vacancy migration algorithm. The two components A and B are supposed to be largely immiscible. As initial condition for the simulations, it is assumed that a thermally induced destruction of polycrystalline multilayers starts at grain boundaries by breakthrough of one component through layers of the other one. Simulations of the subsequent development of the phase morphology within the multilayer grains reveal a recession of broken layers which leads to a localised fusion with adjacent layers of the same component. The evolving morphology depends sensitively on the rate of initial layer breakthrough at grain boundaries compared to the velocity of layer recession. Formation and subsequent growth of pinhole-like layer breakthroughs within multilayer grains are proposed as additional mechanisms of multilayer destruction, which should become important at higher temperatures for large lateral grain size and thin individual layers of a few monolayers thickness.     

乘性和加性α稳定噪声环境下的过阻尼单稳随机共振现象

本文将α稳定噪声与单稳随机共振系统相结合,研究了乘性和加性α稳定噪声环境下的过阻尼单稳随机共振现象,探究了α稳定噪声特征指数α(0α2)、对称参数β(-1β1),单稳系统参数a及乘性α稳定噪声放大系数D对共振输出效应的作用规律.研究结果表明,在不同分布的α稳定噪声环境下,在一定范围内通过调节a或D均可诱导随机共振来实现单个或多个高、低频微弱信号的检测,且a和D分别存在一个最优值可使系统产生最佳的随机共振效应;不同α或β均可对系统共振输出效应产生规律性的影响,且α或β在高、低频微弱信号检测中的作用规律相同;在研究α稳定噪声环境下单、多频单稳随机共振现象时所得结论是相同的.本研究结果可为实现α稳定噪声环境下单稳随机共振系统参数的自适应调节奠定基础.     

The effect of coarse non-deformable particles on the deformation and static recrystallization of aluminium alloys

The phenomenon of particle-stimulated nucleation (PSN) during recrystallization of commercial aluminium alloys has been widely investigated both from a ;scientific viewpoint and from the industrial perspective. The technological impact of this phenomenon is the finding that, depending upon the thermomechanical processing conditions, the occurrence of PSN may strengthen or weaken the deformation texture during recrystallization, which may or may not be desirable ;for a specific application of the final product. From a scientific standpoint, the mechanics of formation of localized deformation zones in the vicinity of the hard particles and the development of deformation substructures within the ;deformation zone that eventually turn into a recrystallized nucleus are still not ;completely understood. This paper describes the application of a coupled finite-element–Monte Carlo technique to study the phenomenon of PSN during recrystallization of aluminium and the subsequent growth of the nuclei. The deformation and recrystallization textures arising from initial microstructures with and without hard particles are compared to elucidate the particle effect on texture. The simulations have been applied to single crystals, bicrystals and a tricrystal of aluminium of specific crystallographic orientations with and without the hard particles at specific locations such as the grain interior, grain boundary and triple line. The simulation results are compared with existing experimental data on the deformation and recrystallization of particle-containing aluminium alloys.     

Grüneisen γ通用函数及完全物态方程

在分析Grüneisen γ近似函数的适用范围和热力学γ高压演化特性的基础上, 根据Grüneisen γ系数的物理性质和变化特点, 利用数学分析的方法建立了Grüneisen γ通用函数γ_n(v). 将γ_n(v)代入热力学函数γ(v, T), γ(v, T)即成为全压力区连续可导的函数, 并由γ(v, T)直接导出了等熵温度函数T_S(v); 再根据等熵温度与Hügoniot 温度的函数关系获得了Hügoniot温度方程的解析函数T_H(v), 从而使Hügoniot方程成为完全物态方程. 对几种金属做了检验, 由等温方程推算Hügoniot方程, 或者由Hügoniot方程推算等温方程, 其结果都与实验符合得很好.     

四种姜黄素类似物核磁共振谱的理论研究

在B3LYP/6-31G(d, p)水平下优化了四种姜黄素类似物的几何构型,并通过振动分析验证了其构型稳定性。在B3LYP/6-311G(d, p)水平下计算了该类化合物的核磁共振谱,研究结果表明：四种化合物主体结构共平面性较好,为一较大共轭体系。由于羟基及甲氧基的引入,使Compound-B/C/D中C₃,C₄以及Compound-A/D中C₅均具有较大δ值,Compound-A中C₄和C₆的δ值相对较小,C₃的δ值相对较大。而在羰基与碳碳双键所形成的共轭羰基化合物中,羰基C₁₃的δ值(183 ppm)相对于乙醛中的δ值(201ppm)有所减小,C_{11, 15}(α碳)的δ值(122 ppm)相对减小,而C_{9, 17}(β碳)的δ值(145 ppm)相对增大。最后,通过线性回归方法,利用相关系数值r研究了1H NMR δ值的实验和理论计算值的相关性,结果表明相关性较好,实验值和理论值基本吻合。