两相钛合金再结晶退火组织与织构演变的蒙特卡罗模拟

蒙特卡罗(MC)方法被广泛应用于模拟金属材料在退火过程中的静态再结晶行为. 在已有两相材料晶粒长大MC模型基础上, 引入形核阶段, 综合考虑再结晶晶粒吞并形变晶粒和再结晶晶粒竞争长大两种情况, 建立了退火时两相合金再结晶MC模型.结合电子背散射衍射所测 初始晶粒形貌、相成分、晶体学取向及应变储能相对值, 该模型被应用于TC11钛合金退火过程中的微观组织及织构演变模拟.结果表明, 所建模型能够较好体现退火过程中两相晶粒的形核及晶粒长大行为. 与β相相比较, α相具有较低的再结晶速率和较高的晶粒长大速率, 前者主要归结于α相较低的初始应变储能, 后者则体现了该条件下初始组织形貌、分布及两相比例对晶粒长大具有重要影响; 由于非均匀形核的影响, 模拟得到的再结晶速率变化与 假设均匀形核的Johnson-Mehl-Avrami-Kolmogorov 再结晶方程存在明显差异.同时, 两相的基本织构特征在退火过程中无明显变化, 但织构强度增加. 关键词： 两相钛合金 再结晶 蒙特卡罗方法 织构     

γ-α相变中不同晶界特征下铁素体生长形貌的相场模拟

利用多相场模型模拟了奥氏体(γ)-铁素体(α)相变过程中不同晶界特征下铁素体晶粒的形貌与生长动力学.模型中通过能量梯度系数和耦合项系数的协同变化定量表达晶界能与晶界迁移率的各向异性,同时固定相场界面宽度来保证计算精度.模拟结果显示:随着原奥氏体晶界能与铁素体-奥氏体晶界能比值σ_(γ,γ)/σ_(α,γ)的增加,三叉相界面处的平衡角β减小,铁素体晶粒沿原奥氏体晶界与垂直于奥氏体晶界方向的生长速率差变大.铁素体与奥氏体晶粒间的晶粒取向越接近,铁素体生长越缓慢.模拟结果可描述铁素体晶粒生长形貌的多样性,与实验结果符合.     

双模晶体相场研究形变诱导的多级微结构演化

本文采用双模晶体相场模型,计算了双模二维相图;模拟了形变诱导六角相向正方相转变过程的多级微结构演化,详细分析了位相差、形变方向对位错、晶界、晶体结构、新相形貌的影响规律.模拟结果表明:形变方向影响正方相晶核的形核位置和生长方向,拉伸时正方相优先在变形带上形核,垂直于形变方向长大,而压缩时正方相直接在位错和晶界的能量较高处形核,平行于形变方向长大;位相差对形变诱发晶界甄没过程有显著影响,体现在能量峰上为,小位相差晶界位错的攀滑移和甄没形成一个能量峰,大位相差晶界位错攀滑移和甄没因分阶段完成而不出现明显的能量峰;形变诱导相变过程中各种因素相互作用复杂,是相变与动态再结晶的复合转变.     

钢铁材料中形变诱导相变超细化机理研究

通过计算机编程建立奥氏体相中12[1 1 0]刃位错、奥氏体相中非形变区和形变区奥氏体/铁 素体相界模型.用实空间的连分数方法计算了非形变区和形变区奥氏体/铁素体相界界面能， 计算了碳、氮及微合金元素在完整晶体及位错区引起的环境敏感镶嵌能，进而讨论形变过程 中铁素体形核的难易程度，碳、氮及合金元素在位错区的偏聚及析出与铁素体细化的关系. 计算结果表明：α-Fe易于在高密度位错区（形变带、亚晶界、晶界）形核，在奥氏体形变 过程中，就会大大提高α-Fe形核率，细化铁素体晶粒；碳、氮和微合金元素易于单独或共 同 关键词： 奥氏体/铁素体相界 刃位错 形变 晶粒细化     

冲击诱发NiTi形状记忆合金相变行为研究

NiTi形状记忆合金的高应变动态响应特性在军事、航空等领域具有重要应用.为研究NiTi合金在动态力学诱导下的相变行为,在不同温区不同冲击速率下,通过轻气炮装置对NiTi合金进行了动态加载实验.利用差示扫描量热仪(DSC),综合物性测量系统分析了冲击波残余效应对NiTi合金相变行为的影响.研究发现:受冲击的样品在第一次DSC热循环中观察到了三个马氏体吸热峰,表现为三步逆马氏体相变,而在第二次热循环中其中两个应力诱发马氏体吸热峰因变形恢复消失.形成两个应力诱发马氏体吸热峰的原因可能是晶粒内部与晶界处的相变过程不同步.受冲击后样品DSC放热峰上出现了一小肩峰,表明可能因中间相(R相)的出现而发生了两步相变,结合电阻测量曲线进一步确认R相的存在,且发现奥氏体相向R相转变以及R相向马氏体相转变这两种相变过程在某一温度范围内可同时进行.同时,文中也具体讨论了不同的冲击加载条件对相变过程的影响.     

热加工过程中动态再结晶现象的多相场研究

金属热加工过程中的动态再结晶引起的组织演化难以通过实验实时观察, 本文基于Ginzburg-Landau动力学方程, 构造多相场法与位错密度计算相耦合的物理模型, 模拟了热加工过程中的动态再结晶现象.研究了不同温度和不同应变速率下的动态再结晶过程, 阐述了应力-应变曲线由单峰形式转变为多峰形式的原因.此外, 本文利用多相场法对多阶段变形过程进行了系统模拟, 研究了静态回复对动态再结晶过程的影响, 分析了不同的热加工参数对动态再结晶动力学的影响, 发现在变形间断过程中, 晶粒尺寸不断增大, 较高的变形温度和较低的应变速率可以加速动态再结晶过程.     

含Nb微合金钢应变诱导析出的模拟

基于物理冶金原理建立了微合金钢在热轧过程中流变应力、回复、再结晶和析出模型，模拟了含Nb微合金钢Nb（C,N）析出动力学，并利用Thermo-Calc软件计算了不同条件下析出粒子形核驱动力和元素平衡含量值，同时考虑了回复和再结晶对析出的影响.计算结果表明，该模型对含Nb微合金钢在不同热轧形变条件下模拟结果与实验结果符合较好，因此可以有效预测在不同热轧形变条件下析出粒子体积分数和析出粒子尺寸. 关键词： 微合金钢 位错密度 回复 再结晶     

铈低压冲击相变数值模拟研究

对金属铈低压冲击γ→α相变进行了数值模拟研究.冲击加载实验的速度剖面结果表明,铈的低压相变过程中两相之间的转换较为光滑,无明显间断,其相变过程存在动态因素.通过分析金属铈低压冲击加载和卸载下的典型物理过程,对材料本构关系、Hugoniot关系和相变与逆相变过程进行了理论研究.获取了铈低压相变前后的本构关系及状态方程,并建立了非平衡相变理论模型.数值计算结果与平面冲击实验符合较好,表明该相变动态模型能够较好地描述铈的低压冲击加载和卸载过程.     

铁冲击相变的分子动力学研究

用分子动力学方法模拟了单晶铁(Fe)在一定初始温度下冲击相变(α相→ε相)的微观过程，结果显示温度会导致冲击相变压力阈值降低.基于此微观过程，对加卸载波系的传播规律进行了相应计算和分析，结果表明在卸载过程中逆相变波(ε相→α相)相对于波前以当地纵波声速传播，而相对波后以亚声速传播，这可由卸载压力-密度曲线给出相应解释；计算了不同初态的卸载压力-密度状态曲线，并给出了逆相变带的分布，其分布规律显示了卸载过程逆相变的滞后现象. 关键词： 分子动力学 多体势 冲击波 相变     

铸造奥氏体不锈钢中铁素体与奥氏体位向关系及其对声衰减的影响

研究了铸造奥氏体不锈钢中铁素体与奥氏体位向关系及其对超声散射衰减的影响.利用电子背散射衍射技术表征了两相的晶体取向及其位向关系,基于真实的铁素体形貌建立了二维声传播各向异性模型并利用时域有限差分法进行了计算,分析了不同位向关系、铁素体形貌特征对声衰减系数的影响规律并进行了实验验证.结果表明：铸造奥氏体不锈钢奥氏体晶粒中散布着形状复杂的铁素体,典型铁素体形貌为条状和岛状;铁素体与奥氏体的位向关系以Kurdjumov-Sachs关系为主,少量满足Nishiyama-Wassermann关系.对声传播过程进行计算,发现两相位向关系和铁素体形貌协同作用影响超声波传播,在较高检测频率（15 MHz）下对散射衰减的影响不能忽略.结合“原位”实验对奥氏体<101>柱状晶粒的声衰减影响因素进行了定量分析,发现对于单一铸造奥氏体晶粒,晶粒内部取向不均匀性、奥氏体-铁素体位向关系以及奥氏体晶粒内铁素体形态都是超声散射衰减的主要原因.     

Analysis of the mobility of migrating austenite–ferrite interfaces

Dilatometric studies assisted by high-temperature laser scanning confocal microscopy provide a comprehensive experimental picture with regard to cyclic austenite-to-ferrite transformations in Fe–C alloys. The validity range for the sharp interface and effective mobility approach is identified by comparing modelling results with calculations based on experiments. The interface velocity for the austenite-to-ferrite transformation in pure iron is exclusively controlled by the intrinsic interface mobility conforming to the upper boundary of mobilities. The austenite-to-ferrite transformation in Fe–C alloys under conventional cooling and heating conditions is primarily controlled by carbon diffusion in austenite. The lower boundary of the temperature-dependent interface mobility has been established for an Fe–C alloy over a wide range of temperatures during cycling transformation. Austenite-to-ferrite transformations in Fe–C–X alloys are characterized by still lower effective mobilities depending on both temperature and composition, because substitutional elements X give rise to a solute drag effect. An estimate for the effective mobility valid for the austenite-to-ferrite transformation in lean Fe–C–Mn alloys is provided.     

Multi-phase field simulation of grain growth in multiple phase transformations of a binary alloy

This work establishes a temperature-controlled sequence function, and a new multi-phase-field model, for liquid–solid–solid multi-phase transformation by coupling the liquid–solid phase transformation model with the solid–solid phase transformation model. Taking an Fe–C alloy as an example, the continuous evolution of a multi-phase transformation is simulated by using this new model. In addition, the growth of grains affected by the grain orientation of the parent phase(generated in liquid–solid phase transformation) in the solid–solid phase transformation is studied. The results show that the morphology of ferrite grains which nucleate at the boundaries of the austenite grains is influenced by the orientation of the parent austenite grains. The growth rate of ferrite grains which nucleate at small-angle austenite grain boundaries is faster than those that nucleate at large-angle austenite grain boundaries. The difference of the growth rate of ferrites grains in different parent phase that nucleate at large-angle austenite grain boundaries, on both sides of the boundaries, is greater than that of ferrites nucleating at small-angle austenite grain boundaries.     

Modelling study on the three-dimensional neutron depolarisation response of the evolving ferrite particle size distribution during the austenite–ferrite phase transformation in steels

The magnetic configuration of a ferromagnetic system with mono-disperse and poly-disperse distribution of magnetic particles with inter-particle interactions has been computed. The analysis is general in nature and applies to all systems containing magnetically interacting particles in a non-magnetic matrix, but has been applied to steel microstructures, consisting of a paramagnetic austenite phase and a ferromagnetic ferrite phase, as formed during the austenite-to-ferrite phase transformation in low-alloyed steels. The characteristics of the computational microstructures are linked to the correlation function and determinant of depolarisation matrix, which can be experimentally obtained in three-dimensional neutron depolarisation (3DND). By tuning the parameters in the model used to generate the microstructure, we studied the effect of the (magnetic) particle size distribution on the 3DND parameters. It is found that the magnetic particle size derived from 3DND data matches the microstructural grain size over a wide range of volume fractions and grain size distributions. A relationship between the correlation function and the relative width of the particle size distribution was proposed to accurately account for the width of the size distribution. This evaluation shows that 3DND experiments can provide unique in situ information on the austenite-to-ferrite phase transformation in steels.     

Direct observation of Cu interphase precipitation in continuous cooling transformation by atom probe tomography

Atom probe tomography (APT) combined with electron back scatter diffraction and transmission electronic microscopy (TEM) is utilized to characterize the nature of copper precipitation during austenite–ferrite transformation in a continuous cooling high-strength low-alloy steel. The copper precipitation manners in association with the austenite decomposition kinetics are studied. The prevailing microstructure of the continuous cooling steel consists of acicular ferrite (AF), which is formed at an intermediate cooling rate of 10?°C/s. Besides, a limited volume of polygonal ferrite (PF) because of fast cooling rate and a trace of retained austenite are detected. Numerous copper-rich phase is found by TEM observation both in highly dislocated AF and dislocation-free PF. Generally, the copper-rich precipitates have comparatively large sizes and are considered to be formed by interphase precipitation during austenite–ferrite transformation. A high number density of nanometre sized copper-rich clusters that are lack of diffraction contrast in conventional TEM observation are detected by APT. These smaller copper-rich clusters, which are usually located between the linear-arranged copper-rich precipitates, are considered to be formed from supersaturated solid solution after the cessation of austenite–ferrite transformation. That means an ageing reaction for Cu precipitation occurs during continuous cooling transformation. The copper-rich precipitates and clusters are both rich in nickel, manganese and iron.     

Multi-phase-field simulation of austenite peritectic solidification based on a ferrite grain

A multi-phase-field model is implemented to investigate the peritectic solidification of Fe-C alloy. The nucleation mode of austenite is based on the local driving force, and two different thicknesses of the primary austenite on the surface of the ferrite equiaxed crystal grain are used as the initial conditions. The simulation shows the multiple interactions of ferrite, austenite, and liquid phases, and the effects of carbon diffusion, which presents the non-equilibrium dynamic process during Fe-C peritectic solidification at the mesoscopic scale. This work not only reveals the influence of the austenite nucleation position, but also clarifies the formation mechanism of liquid phase channels and molten pools. Therefore, the present study contributes to the understanding of the micro-morphology and micro-segregation evolution mechanisms of Fe-C alloy during peritectic solidification.     

Magnetic-field-induced microstructural features in a high carbon steel during diffusional phase transformation

In this work, a high purity, high carbon steel was heat treated without and with a 12-T magnetic field. The microstructural features induced by magnetic field during its diffusion-controlled austenite decomposition were investigated by means of optical microscopy and SEM/EBSD. It is found that the magnetic field increases the amount of the abnormal structure, which is composed of proeutectoid cementite along the prior austenite boundaries and ferrite around it, because magnetic field increases the austenite grain size and promotes the transformation of carbon-depleted austenite to ferrite. No specific orientation relationship between abnormal ferrite and cementite has been found in the non-field- or the field-treated specimens. Magnetic field evidently promotes the spheroidization of pearlite, due to its effect of enhancing carbon diffusion through raising the transformation temperature and its effect of increasing the relative ferrite/cementite interface energy. As magnetic field favors the nucleation of the high magnetization phase-pearlitic ferrite, the occurrence of the P-P2 OR that corresponds to the situation that ferrite nucleates prior to cementite during pearlitic transformation is enhanced by the magnetic field.     

Effects of High Magnetic Fields on the Microstructure Formation in a 42CrMo Steel During Solid Phase Transformations

This paper summarizes our recent work on the application of high static magnetic fields to the austenite-to-ferrite transformation and the tempering processes in hot-rolled 42CrMo steel. The thermodynamic and kinetic effects of the high magnetic fields on austenite decomposition and the influences of the high magnetic field on carbide precipitation and the matrix recovery during high- and low-temperature tempering are briefly outlined. Insight into these aspects may provide better understanding of the effects of high magnetic fields on diffusional phase transformations and is of both theoretical significance and technical interest.     

有机发光器件的磁电导效应

制备了基于三(8-羟基喹啉)铝(tris-(8-hydroxyquinoline) aluminum (III), Alq₃) 的有机发光二极管, 并在不同偏压下测量了器件的室温磁电导效应.在小偏压下, 发光器件展示出明显的负磁电导效应.偏压增加后, 磁电导由负值变为正值, 出现了正负转变的现象. N, N'-二苯基-N, N'-(1-萘基)-1, 1'-联苯-4, 4'-二胺(N, N′-Di(naphthalen-1-yl)-N, N′ diphenyl-benzidine, NPB) 与铜酞菁 (Copper phthalocyanine, CuPc) 单极器件磁电导的测量结果表明, 发光器件在小偏压下的负磁电导效应来源于器件中的CuPc层. 双极电流的磁电导效应可用电子-空穴对模型进行解释, 而单极电流的磁电导效应可归因于器件中的极化子-双极化子转变. 在注入电流的变化过程中, 发光器件的正负磁电导转变是两种机理共同作用的结果.     

Five-parameter crystallographic characteristics of the interfaces formed during ferrite to austenite transformation in a duplex stainless steel

The crystallography of interfaces in a duplex stainless steel having an equiaxed microstructure produced through the ferrite to austenite diffusive phase transformation has been studied. The five-parameter interface character distribution revealed a high anisotropy in habit planes for the austenite–ferrite and austenite–austenite interfaces for different lattice misorientations. The austenite and ferrite habit planes largely terminated on (1 1 1) and (1 1 0) planes, respectively, for the austenite–ferrite interfaces associated with Kurdjumov–Sachs (K–S) and Nishiyama–Wasserman (N–W) orientation relationships. This was mostly attributed to the crystallographic preference associated with the phase transformation. For the austenite–ferrite interfaces with orientation relationships which are neither K–S nor N–W, both austenite and ferrite habit planes had (1 1 1) orientations. Σ3 twin boundaries comprised the majority of austenite–austenite interfaces, mostly showing a pure twist character and terminating on (1 1 1) planes due to the minimum energy configuration. The second highest populated austenite–austenite boundary was Σ9, which tended to have grain boundary planes in the tilt zone due to the geometrical constraints. Furthermore, the intervariant crystallographic plane distribution associated with the K–S orientation relationship displayed a general tendency for the austenite habit planes to terminate with the (1 1 1) orientation, mainly due to the crystallographic preference associated with the phase transformation.