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Correction: Modelling of the Degradation of Fe9Cr Steels in High-Temperature CO2 修正:模拟Fe9Cr钢在高温CO2中的降解
IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-23 DOI: 10.1007/s11669-025-01199-y
Yilun Gong, Roger C. Reed, Henrik Larsson, Colin Atkinson
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引用次数: 0
The 45th Anniversary of the Journal of Phase Equilibria and Diffusion 《相平衡与扩散》杂志创刊45周年纪念
IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-12 DOI: 10.1007/s11669-025-01198-z
Ursula R. Kattner
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引用次数: 0
The Ce-Fe-Ti System: Phase Equilibria in the Fe-rich Corner at 1000 °C Ce-Fe-Ti体系:1000°C富铁角的相平衡
IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-08 DOI: 10.1007/s11669-025-01195-2
Eunjeong Kim, Alexander E. Wilson-Heid, Joseph Boro, Alexander A. Baker, Ashley N. Lee, Martin Kunz, Alfred Amon

The rare earth–iron–transition metal systems are of increasing interest in the search for novel permanent magnet phases. This work reports on the solidification behavior, phase equilibria and stability range of solid phases in the ternary Ce-Fe-Ti system, focusing on the iron-rich region (> 65 at.% Fe) of the isothermal section at 1000 °C. Two ternary phases Ce1.03Fe12-xTix (x = 0.87–1.02) with ThMn12 structure type and Ce3.06Fe27.6Ti1.4 with Nd3Fe29 structure type were observed. Magnetic measurements of Ce1.03Fe12-xTix and Ce3.06Fe27.6Ti1.4 revealed ferromagnetic ordering with Curie temperatures of 550 K and 327 K, respectively.

稀土-铁过渡金属体系在寻找新型永磁相方面日益引起人们的兴趣。本文报道了Ce-Fe-Ti三元体系中固相的凝固行为、相平衡和稳定范围,重点研究了富铁区(> 65 at)。% Fe)的等温切片在1000°C。Ce1.03Fe12-xTix (x = 0.87-1.02)为ThMn12结构型,Ce3.06Fe27.6Ti1.4为Nd3Fe29结构型。Ce1.03Fe12-xTix和Ce3.06Fe27.6Ti1.4在居里温度分别为550 K和327 K时显示铁磁有序。
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引用次数: 0
Phase Equilibria and Microstructure Evolution in the Ni-rich Region of Binary Ni-Ce and Ternary Ni-Ce-X (X = Al, Nb, Cr, Ti) Systems at 900 °C 900℃时二元Ni-Ce和三元Ni-Ce-X (X = Al, Nb, Cr, Ti)体系富镍区相平衡和微观结构演变
IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-06-05 DOI: 10.1007/s11669-025-01196-1
Syeda Bushra Haider, Ishtiaque Karim Robin, Eric A. Lass

The equilibrium compositions of all phases in the Ni-rich region of binary Ni-Ce and ternary Ni-Ce-X (X = Al, Nb, Cr, Ti) systems at 900 °C were determined experimentally through isothermal annealing for up to 500 h and compared with currently available computational thermodynamic descriptions. Additionally, the study examined how adding a third element to the binary system affects the microstructure by analyzing changes in the volume fraction of the intermetallic phase in the eutectic region. It was observed that Nb and Ti addition lowered the intermetallic fraction in the eutectic region while Al and Cr addition did the opposite. The fraction of intermetallic phase in the eutectic region is very important because it contributes to extreme brittleness of these alloys. Also, Al, Nb and Ti addition promoted different precipitates upon annealing when added in sufficient amounts. The collected data on composition and phase equilibria provides crucial information for improving the thermodynamic assessments of the binary and ternary alloy systems.

在900°C下,通过等温退火500 h,实验确定了二元Ni-Ce和三元Ni-Ce-X (X = Al, Nb, Cr, Ti)体系富ni区所有相的平衡组成,并与现有的计算热力学描述进行了比较。此外,通过分析共晶区金属间相体积分数的变化,研究了在二元体系中加入第三元素对微观结构的影响。Nb和Ti的加入降低了共晶区的金属间组分,而Al和Cr的加入则相反。在共晶区金属间相的分数是非常重要的,因为它有助于这些合金的极端脆性。当Al、Nb和Ti的加入量足够时,退火后析出的析出也不同。所收集的成分和相平衡数据为改进二元和三元合金体系的热力学评估提供了重要信息。
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引用次数: 0
Atomic Rearrangement and Phase Transformation during Aging at 480 °C in a Maraging-300 Steel 马氏体-300钢在480℃时效过程中的原子重排和相变
IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-05-30 DOI: 10.1007/s11669-025-01194-3
Jean Jefferson Moraes da Silva, Marcos Natan da Silva Lima, Pedro Henrique Lamarão Souza, Carlos Augusto Silva de Oliveira, Igor Frota de Vasconcelos, João Marcos da Silva Nunes, Samuel Filgueiras Rodrigues, Hamilton Ferreira Gomes de Abreu

Maraging steels are known to achieve the best mechanical properties when aged around 480 °C. However, the precipitate formation process is still not straightforward enough at this temperature. In this research, Mössbauer spectroscopy, complemented with transmission electron microscopy, x-ray diffraction, hardness measurements, and optical microscopy techniques, was used to investigate the phase transformation process of solution-treated and 480 °C-aged Maraging-300 steel specimens. The results indicated that the precipitation of intermetallic compounds starts at the early stages of aging and that these precipitates are Fe-free, which are responsible for improving mechanical properties. Atomic mobility is discussed, and precipitate formation is evidenced. Small amounts of reverted austenite due to precipitate dissolution were detected at longer aging times, and the formation of paramagnetic iron-rich phases is also suggested.

马氏体时效钢在480°C左右时效时达到最佳机械性能。然而,在这个温度下,沉淀的形成过程仍然不够直接。在这项研究中,Mössbauer光谱,配合透射电子显微镜,x射线衍射,硬度测量和光学显微镜技术,研究了固溶处理和480°c时效的马氏体-300钢试样的相变过程。结果表明,金属间化合物的析出始于时效早期,这些析出物不含铁,是提高力学性能的主要原因。讨论了原子迁移率,并证实了沉淀的形成。在较长的时效时间内,发现了少量因沉淀溶解而形成的还原奥氏体,同时也发现了富铁顺磁相的形成。
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引用次数: 0
Correction: On Gibbs Equilibrium and Hillert Nonequilibrium Thermodynamics 更正:关于吉布斯平衡和希勒特非平衡热力学
IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-05-29 DOI: 10.1007/s11669-025-01197-0
Zi-Kui Liu
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引用次数: 0
SFE Assessment of Fe–Mn Binary System Using the 3rd Generation Calphad Database: Phase Diagram Re-assessment and Physical Insights 利用第三代calphhad数据库对Fe-Mn二元系统进行SFE评估:相图重新评估和物理见解
IF 1.5 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-05-12 DOI: 10.1007/s11669-025-01192-5
Kamran Kaboli, Sedigheh Bigdeli

The utilization of integrated computational materials engineering (ICME) using third generation calculation of phase diagrams (Calphad) databases holds promise for predicting thermodynamics of materials, leading to time and cost-efficient approaches. This study delves into the complexities of stacking fault energy (SFE) in Fe-Mn binary system using the concept of a 3rd generation Calphad database which is suitable for thermodynamic calculations at low temperatures. Releases of 3rd generation Calphad descriptions for unary Fe and Mn in recent years, motivated the authors to address the SFE using a re-assessment of thermodynamic description for the Fe-Mn binary system. The obtained SFE values are calculated thermodynamically and discussed in relation to the material's behavior and properties. SFE values are computed through a revised thermodynamic method of Olson-Cohen, and the relationship between this quantity and properties of material is discussed. This research not only serves to augment our understanding of SFE and related physical phenomena but also identifies regions where thermodynamic databases can be refined. The effectiveness of ICME and Calphad methodologies is demonstrated, contributing to the advancement of materials design and, consequently, the enhancement of performance and reliability in low-temperature applications.

集成计算材料工程(ICME)利用第三代相图计算(calphhad)数据库预测材料的热力学,带来了时间和成本效益的方法。本研究利用适用于低温热力学计算的第三代calphhad数据库的概念,深入研究了Fe-Mn二元体系中层错能(SFE)的复杂性。近年来,第三代calphhad对一元铁和一元锰的描述的发布,促使作者通过重新评估Fe-Mn二元系统的热力学描述来解决SFE问题。得到的SFE值进行了热力学计算,并与材料的行为和性能进行了讨论。通过修正的Olson-Cohen热力学方法计算了SFE值,并讨论了SFE值与材料性质的关系。这项研究不仅有助于增强我们对SFE和相关物理现象的理解,而且还确定了热力学数据库可以改进的区域。证明了ICME和Calphad方法的有效性,有助于材料设计的进步,从而提高低温应用中的性能和可靠性。
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引用次数: 0
Phase Equilibria in the La-Co-Ti Ternary System at 873 K and 1073 K La-Co-Ti三元体系在873 K和1073 K时的相平衡
IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-05-10 DOI: 10.1007/s11669-025-01193-4
T. B. Li, J. Wang, X. Liu, L. G. Zhang, Q. R. Yao, G. H. Rao, H. Y. Zhou

The phase equilibria of the La-Co-Ti ternary system were investigated through the equilibrated alloy method using scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) and x-ray diffraction (XRD). The phase formation in La-Co-Ti alloys annealed at 873 K and 1073 K was determined by using the EDS composition measurements and the XRD Rietveld refinements. Five La-Co binary intermetallic compounds (LaCo13, LaCo5, β-La2Co7, La2Co3, La2Co1.7) and five Co-Ti binary intermetallic compounds (Co3Ti, Co2Ti(h), Co2Ti(c), CoTi and CoTi2) were observed, while the intermetallic compound La5Co19 was not found. Two ternary intermetallic compounds La2Co17-xTix (0.5 ≤ x ≤ 1.3) with a Th2Zn17-type structure and LaCo12-xTix (1.5 ≤ x ≤ 1.7) with a ThMn12-type structure were detected at 873 K, while the ternary intermetallic compound La2Co17-xTix (0.5 ≤ x ≤ 1.3) is only existent at 1073 K. Furthermore, the measured phase compositions show that the solubility of the third element in the La-Co and Co-Ti binary intermetallic compounds is negligible (less than 1 at.%). Two isothermal sections of the La-Co-Ti ternary system at 873 K and 1073 K were constructed finally.

利用扫描电子显微镜(SEM)、能谱仪(EDS)和x射线衍射仪(XRD),采用平衡合金法研究了La-Co-Ti三元体系的相平衡。采用EDS成分测定和XRD Rietveld细化分析了873 K和1073 K退火后La-Co-Ti合金的相形成。共发现5个La-Co二元金属间化合物(LaCo13、LaCo5、β-La2Co7、La2Co3、La2Co1.7)和5个Co-Ti二元金属间化合物(Co3Ti、Co2Ti(h)、Co2Ti(c)、CoTi和CoTi2),未发现金属间化合物La5Co19。在873 K时检测到两种th2zn17型结构的三元金属间化合物La2Co17-xTix(0.5≤x≤1.3)和thmn12型结构的LaCo12-xTix(1.5≤x≤1.7),而在1073 K时仅检测到La2Co17-xTix(0.5≤x≤1.3)。此外,测量的相组成表明,第三元素在La-Co和Co-Ti二元金属间化合物中的溶解度可以忽略不计(小于1at .%)。最后构建了La-Co-Ti三元体系在873 K和1073 K下的等温截面。
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引用次数: 0
Modelling of the Degradation of Fe9Cr Steels in High-Temperature CO2 Fe9Cr钢在高温CO2中的降解模拟
IF 1.5 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-05-08 DOI: 10.1007/s11669-025-01191-6
Yilun Gong, Roger C. Reed, Henrik Larsson, Colin Atkinson

This article considers recent progress in modelling the degradation of Fe9Cr steels exposed to high-temperature CO2. Computational modelling is used to rationalise the mechanism of the so-called breakaway oxidation, which is shown here to be associated with the carburisation of the underlying Fe9Cr substrate of finite dimensions. Oxidation kinetics, non-steady-state carburisation kinetics, and the mass transport mechanisms are covered. The theoretical and numerical/analytical challenges are discussed, with possible ways forward being suggested. Thus, we demonstrate that the software systems built on Prof. Hillert’s legacy are maturing rapidly towards engineering tools which can be used to anticipate the degradation of complex multicomponent alloys in engineering situations of relevance and significant complexity.

本文考虑了Fe9Cr钢暴露于高温CO2下的降解模拟的最新进展。计算模型用于合理化所谓的分离氧化机制,这与有限尺寸的Fe9Cr衬底的渗碳有关。氧化动力学,非稳态渗碳动力学,和质量传递机制涵盖。讨论了理论和数值/分析方面的挑战,并提出了可能的前进方向。因此,我们证明了建立在Hillert教授遗产基础上的软件系统正在迅速走向成熟的工程工具,这些工具可用于预测相关且非常复杂的工程情况下复杂多组分合金的退化。
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引用次数: 0
The Journal of Phase Equilibria and Diffusion Editor’s Choice Awards for 2024 《相平衡与扩散》杂志2024年编辑选择奖
IF 1.5 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2025-04-27 DOI: 10.1007/s11669-025-01189-0
Ursula Kattner
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引用次数: 0
期刊
Journal of Phase Equilibria and Diffusion
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