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     

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.     

Effect of rotating magnetic field on microstructure formation of directionally solidified Sn–1.6Cd peritectic alloy

In order to investigate the effect of rotating magnetic field on the microstructure formation of peritectic alloys, directional solidification experiments of Sn–1.6Cd peritectic alloy have been conducted under different rotating magnetic field conditions. The directional solidification microstructure of Sn–1.6Cd peritectic alloy changes from banded structure to axisymmetric isolated banded structure to axisymmetric oscillatory tree-like banded structure and to single primary phase structure when the magnetic Taylor number of forced-melt flow generated by a rotating magnetic field increases from 0 to 91 to 364 and to 1456. The second and third banded structures are observed in a peritectic alloy for the first time. The results indicate that it is possible to control solidification microstructure and prepare a single primary phase structure by using a rotating magnetic field during directional solidification of peritectic alloys. The experiments show that the effect of forced-melt flow on solute distribution transforms from solute buildup to homogenization with an increase in the magnetic Taylor number. The formation mechanisms of those structures are also discussed.     

Local melting/solidification during peritectic solidification in a steep temperature gradient: analysis of a directionally solidified Al–25at%Ni

Melting of primary Al₃Ni₂ phase and solidification of Al₃Ni peritectic phase during directional solidification of an Al–25at%Ni peritectic alloy have been investigated. In a steep temperature gradient of up to 50 K/mm and at a pulling rate of 20 μm/s, an incomplete coverage of peritectic Al₃Ni phase on the surface of the primary Al₃Ni₂ phase has been observed. Below the peritectic temperature in the presence of the incomplete coverage, melting of primary Al₃Ni₂ on the one side and solidification to the Al₃Ni peritectic phase on the other side proceed swiftly via diffusion through the interphase liquid layer. Theoretical calculations based on an incomplete-coverage-related melting/solidification model are in close agreement with the experimental measurements.     

Influence of initial solid–liquid interface morphology on further microstructure evolution during directional solidification

Preparation of the initial solid–liquid interface on which growth is started is a very critical step in directional solidification experiments. Dedicated experiments concerning preparation of the initial solid–liquid interface morphology and its influence on further directionally solidified microstructure were performed on Cu-20 wt% Sn peritectic alloy in a Bridgman-type furnace. To verify the morphology of the initial solid–liquid interface, steady-state directional dendritic growth was interrupted by thermal stabilization ranging from 0 to 1 h prior to quenching. With thermal stabilization duration increase, the solid–liquid interface morphology degenerated from dendritic to cellular and finally to planar. To verify the influence of the initial state on further solidification microstructure, directional solidification experiments were performed at a low pulling rate of 1 μm/s with different initial solid–liquid interface morphologies. The initial state affects solute redistribution and formation of peritectic coupled growth structure in the subsequent directional solidification process.     

二元合金凝固过程微尺度热质传输的影响分析

针对二元合金凝固的微观偏析现象建立一维平面枝晶模型,考虑溶质在固相中有限扩散,液相完全扩散的情况。通过模拟计算,比较分析了Al-Cu和Fe-C合金微观偏析的特点,并讨论了不同凝固速度以及溶质扩散系数随温度变化与否对微观偏析的影响。分析结果表明,温度场的影响是不可忽略的,应该在研究中予以考虑。     

On the nucleation of cementite on bainitic ferrite–austenite interphase boundaries

Among all possible variants of the Isaichev orientation relationship between cementite and ferrite, a single major cementite variant has been observed to appear in bainite. Interphase boundary nucleation of cementite on ferrite–austenite semi-coherent interfaces is considered a plausible reason for this observation. With the aid of known crystallographic relations and habit planes of the ferrite–cementite, ferrite–austenite and austenite–cementite phases, a model for cementite nucleation has been proposed. The interphase-boundary nucleus is assumed to form on a semi-coherent ferrite–austenite interface and to possess ferrite–cementite and austenite–cementite habits as two main facets of the nucleus. It is shown that interphase cementite nucleation will be viable if the energies of all facets of the nucleus are in the semi-coherent range.     

强磁场对Mn-Sb包晶合金相变及凝固组织的影响

以Mn-56.5 wt%Sb包晶合金为研究对象, 进行了不同磁场、不同冷速条件下的凝固实验. 通过对液相线温度、包晶温度的考察, 发现强磁场可以提高Mn-56.5 wt%Sb合金的液相线温度, 且该上升值随磁感应强度的增加而增加, 当所施加的磁感应强度为11.5 T时, 液相线温度升高大约3 ℃, 但施加磁场后包晶反应温度没有明显改变. 对该合金的凝固组织进行定量金相分析发现, 施加磁场后MnSb相明显减少, 该结果与磁场对相变温度的影响相一致. 另外通过X射线衍射分析发现, 强磁场诱发包晶反应生成相MnSb的c轴垂直于磁场方向取向, 而Mn₂Sb相的(311)面平行于磁场方向取向. 对不同冷速凝固的Mn-56.5 wt%Sb合金组织进行定量金相分析结果显示, 强磁场对合金凝固过程的作用效果受到冷却速度的影响. 随着冷却速度的增加, 强磁场对该合金凝固组织中MnSb相的相对含量变化影响效果减弱. 关键词： 强磁场 包晶合金 凝固 相变温度     

Numerical simulation of dendrite growth and microsegregation formation of binary alloys during solidification process

The dendrite growth and solute microsegregation of Fe-C binary alloy are simulated during solidification process by using cellular automaton method. In the model the solid fraction is deduced from the relationship among the temperature, solute concentration and curvature of the solid/liquid interface unit, which can be expressed as a quadric equation, instead of assuming the interface position and calculating the solid fraction from the interface velocity. Then by using this model a dendrite with 0 and 45 degree of preferential growth direction are simulated respectively. Furthermore, a solidification microstructure and solute microsegregation are simulated by this method. Finally, different Gibbs-Thomson coefficient and liquid solute diffusing coefficient are adopted to investigate their influences on the morphology of dendrite.     

快速凝固Co-Cu包晶合金的电学性能

研究了Co-Cu包晶合金快速凝固过程中的相选择和组织形成特征, 探索了冷却速率、组织结构和晶体位向与合金电阻率之间的相关规律.实验发现, 快速凝固可使Co在(Cu)中的固溶度扩展至20%.Cu含量大于80%时, L+αCo→(Cu)包晶转变被抑制, (Cu)可从过冷熔体中直接形核析出.Cu含量在40%—70%范围时, Co-Cu合金的液相分离受到抑制, 凝固组织沿条带厚度方向分为两个晶区.细晶区中αCo和(Cu)相竞争形核并生长, αCo枝晶形态细密，细小的（Cu）等轴晶均匀分布于αCo的基体之中.粗晶区αCo相为领先相, 富Cu相分布于αCo枝晶的晶界处.随着冷速的增大, 合金组织显著细化, 晶界增多,对自由电子的散射作用增强, 合金电阻率显著增大.当晶界散射系数r＝0996—0999时, 可采用M-S模型综合分析快速凝固Co-Cu合金的电阻率. 关键词： 电阻率 快速凝固 相结构 晶体生长     

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.     

Influence of magnetic field on ferrite transformation in a Fe-C-Mn alloy

The kinetics of ferrite transformation in a Fe-0.10mass%C-2.94mass%Mn alloy in a strong magnetic field of 8 T were studied with regard to alloying element-partitioned and partitionless growth. According to the theory of diffusion-controlled growth, the slow Mn diffusion dictates partitioned growth that occurs at a low undercooling, whereas partitionless growth at a larger undercooling is rate-controlled by fast carbon diffusion. The alloy was austenitized and isothermally reacted at temperatures that encompass the two growth modes. The nucleation and growth rates of ferrite increased at all temperatures in the magnetic field, whereas the amount of increase was somewhat greater at lower temperatures. In the region of slow growth, besides its sluggish diffusion Mn possibly destabilizes the ferrite phase due to the influence on the magnetic moment and the Curie temperature of bcc Fe solid solution, and partially offsets the accelerating effect of transformation. The temperature of transition from the slow to the fast growth is predicted to increase, due to the shift in the ferrite/austenite phase boundaries in the presence of magnetic field.     

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.     

Formation mechanism of banded structure during directional solidification of Sn–Cd peritectic alloy under convection condition

Directional solidification experiments of Sn-0.75 wt%Cd and Sn-1.6 wt%Cd peritectic alloys have been conducted under convection condition to investigate the formation mechanism of banded structure. Many types of banded structure were obtained, which cannot be interpreted by the Karma’s model. The reason for this conflict is that there are many banded structure formation mechanisms such as abundant nucleation, regrowth, fast radial cellular growth and radial competitive growth under convection condition, but the Karma’s model only considers the abundant nucleation and ignores other mechanisms. The analyses showed that these formation mechanisms changed along with an increase in alloy composition. Based on these analyses, a simple modified banding window, which considered these different formation mechanisms, has been presented. Compared with the banding window defined by the Karma’s model, this modified banding window contained it and could predict different banded structure formations under convection condition appropriately.     

急冷快速凝固过程中液相流动与组织形成的相关规律

研究了Fe58wt%Sn过偏晶合金的急冷快速凝固和组织形成特征． 实验发现, FeSn过偏晶合金的急冷快速凝固组织由规则排布的纤维状β-Sn相和分布其间的α-Fe相及少量金属间化合物相组成, β-Sn相的几何排列方向与合金条带表面成0—15°的夹角．根据急冷条件下金属熔体的热传导方程和Navier-Stokes方程, 对过偏晶合金的凝固行为和组织形成过程进行了理论分析, 揭示出熔体内部的动量传输对过偏晶合金的液相分离行为具有显著的影响．两相分离发生于液池底部约200μm的急冷区内, 分离的L2液滴在辊面驱 关键词： 液态 相分离 液相流动 快速凝固 晶体生长     

Al-Ti-B细化工业纯铝凝固组织演变过程数值模拟

采用耦合群体动力学方法与元胞自动机方法建立了细化处理条件下铝合金凝固微观组织演变的数值模型.该模型考虑了a-Al的非均匀形核过程、晶粒的初始球形长大以及之后的枝晶生长过程.利用建立的模型模拟了Al-5Ti-1B中间合金细化工业纯铝凝固组织演变过程.结果表明:形核初始阶段,熔体中存在充足数量的有效形核粒子, a-Al形核率随着熔体过冷度的增大逐渐增高;形核开始不久后, a-Al的异质形核过程由熔体中有效形核粒子数量控制,直到再辉发生,形核停止.模拟分析了中间合金添加量以及熔体冷却速度对工业纯铝凝固组织演变过程的影响,模拟结果与实验结果相符,验证了模型的准确性.     

Modeling of the γ → α transformation in steels

A mathematical physically based model of the decomposition of undercooled austenite (γ-phase) with the formation of ferrite (α-phase) and pearlite has been developed. The model differs from the currently existing analogs by a new approach to the inclusion of the effect of complex alloying of steels on the nucleation rate of ferrite grains and on the mobility of the α/γ-phase boundary. In the model, the effect of alloying of steels with substitutional elements on the diffusion coefficient of carbon in the bulk of austenite is taken into account. The results of the modeling of the kinetics of austenite decomposition and the calculation of the final ferrite grain size are in good quantitative agreement with the experimental data obtained for a set of steels with a wide range of chemical compositions.     

Solidification mechanism transition of liquid Co–Cu–Ni ternary alloy

We report a solidification mechanism transition of liquid ternary Co₄₅Cu₄₅Ni₁₀ alloy when it solidifies at a critical undercooling of about 344 K. When undercooling at ΔT<344 K, the solidification process is characterized by primary S (Co) dendritic growth and a subsequent peritectic transition. The dendritic growth velocity of S (Co) dendrite increases with the rise of undercooling. However, once ΔT>344 K, the solidification velocity decreases with the increase of undercooling. In this case, liquid/liquid phase separation takes place prior to solidification. The minor L₂ (Cu) droplets hinder the motion of the solidification front, and a monotectic transition may occur in the major L₁ phase. These facts caused by metastable phase separation are responsible for the slow growth at high undercoolings.     

Following individual grains during solid-state phase transformations with 3DXRD microscopy

The mechanical properties of metals strongly depend on the microstructure, which is formed during their production and processing. Understanding the underlying mechanisms of the nucleation and growth kinetics during solid-state phase transformations in steel is of vital importance to control its microstructure. The kinetics of individual grains in the bulk of steel can be measured in situ with the three-dimensional X-ray diffraction microscopy (3DXRD) at the European synchrotron radiation facility (ESRF). Simultaneously the fraction transformed, the nucleation rate, and the growth rate of individual grains can be measured. Unique in situ measurements of nucleation and growth rates of individual austenite and ferrite grains are presented.     

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