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Ab Initio Investigations for the Role of Compositional Complexities in Affecting Hydrogen Trapping and Hydrogen Embrittlement:A Review

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Acta Metallurgica Sinica(English Letters) 2023年第7期36卷 1159-1172页

作者： Boning Zhang Yong Mao Zhenbao Liu Jianxiong Liang Jun Zhang maoqiu wang Jie Su Kun Shen Advanced Computing Center School of Materials and EnergyYunnan UniversityKunming650091China Institute for Special Steel Research Central Iron and Steel Research InstituteBeijing100081China Key Laboratory of Advanced Materials of Ministry of Education School of Materials Science and EngineeringTsinghua UniversityBeijing100084China School of Science China University of GeosciencesBeijing100083China

ydrogen embrittlement(HE)seriously restricts the service safety of structural metallic materials applicate in aerospace,ocean,and transportation.Recent studies aiming at increasing the HE-resistance have been focusing on trapping diffusible H atoms by inherent microstructural features in materials.Alloying-induced compositional complexities,including different types of solute atoms,lattice chemical heterogeneities,and carbide precipitates,have attracted research efforts regarding the H trapping capabilities and potential to reduce the susceptibility to HE.In this paper,we review recent progress in exploiting compositional complexities to regulate the hydrogen trapping characteristics and mechanical properties in H-containing environments.The focus is placed on results and insights from ab initio calculations based on density functional theory(DFT).Quantitative predictions of trapping parameters and atomic scale details that are hardly to be gained through traditional experimental characterizations are provided.Additionally,we overview the electronic/atomistic mechanisms of H trapping energetics in metallic materials.Finally,we propose some key challenges and prospects in simulation of defect interactions,interpretation of experimental characterizations,and developing microstructure-based H diffusion prediction models.For the applications of first principle calculations,we illustrate how the DFT data can complement experimental characterizations to guide composition and microstructure design for better HE-resistant materials.

关键词： Ab initio calculations Hydrogen trapping Hydrogen embrittlement Precipitation Composition design

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NiAl和Cu在40CrNi3MoV钢中的析出行为及其对力学性能的影响

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金属学报 2024年第2期60卷 201-210页

作者：梁恩溥徐乐王毛球时捷钢铁研究总院有限公司特殊钢研究院北京100081

为提高40CrNi3MoV钢的力学性能,在40CrNi3MoV钢中添加Al、Cu元素,研究了调质处理后实验用钢中的NiAl、Cu析出行为及其对力学性能的影响。利用SEM、TEM和EDS等手段表征了NiAl和Cu析出相的成分、结构、尺寸和形貌,通过三维原子探针(3DAP)... 详细信息

为提高40CrNi3MoV钢的力学性能,在40CrNi3MoV钢中添加Al、Cu元素,研究了调质处理后实验用钢中的NiAl、Cu析出行为及其对力学性能的影响。利用SEM、TEM和EDS等手段表征了NiAl和Cu析出相的成分、结构、尺寸和形貌,通过三维原子探针(3DAP)对析出相形成元素的分布特征进行表征,对比研究了实验用钢的力学性能。结果表明,只添加Al元素后实验用钢中形成与基体共格的B2-NiAl析出相,这些NiAl相主要在晶界处析出且尺寸较大;进一步添加Cu元素后,析出了与基体共格的bcc结构富Cu相,添加Cu后减少了大尺寸NiAl相在晶界处的析出,促进了晶内纳米级NiAl析出。实验用钢中的NiAl析出相和基体点阵错配度小,对抗拉强度提供了200 MPa强化增量;添加Cu后,均匀分布的细小富Cu相和被细化的NiAl相增加了对位错的阻碍作用,屈服强度进一步提高了200 MPa,然而大量细小高密度的NiAl和Cu析出相降低了拉伸过程中产生裂纹的临界应变,因此与只添加Al元素的实验用钢相比,抗拉强度并未提高。

关键词： 40CrNi3MoV钢 NiAl和Cu析出 3DAP 拉伸强度

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Low cycle fatigue behavior of high strength gun steels

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Journal of University of Science and Technology Beijing 2004年第3期11卷 268-272页

作者： maoqiu wang Han Dong Qi wang Changgang Fan Division of Structural Materials, Central Iron & Steel Research Institute, Beijing 100081, China Div. of Structural Mat. Central Iron and Steel Res. Inst. Beijing 100081 China

The low cycle fatigue (LCF) behavior of two high strength steels, withnominal chemical compositions (mass fraction, %) of 0.40C-1.5Cr-3Ni-0.4Mo-0.2V (PCrNi3MoV) and0.25C-3Cr-3Mo-0.8Ni-0.1Nb (25Cr3Mo3NiNb), was investigated by using the smooth bar specimenssubjected to strained-controlled push-pull loading. It is found that both steels show cyclicsoftening, but 25Cr3Mo3NiNb steel has a lower tendency to cyclic softening. 25Cr3Mo3NiNb steel hashigher fatigue ductility, and its transition fatigue life is almost three times that of PCrNi3MoV.25Cr3Mo3NiNb steel also shows higher LCF life either at a given total strain amplitude above 0.5% orat any given plastic strain amplitude, despite its lower monotonic tensile strength than that ofPCrNi3MoV. It also means that 25Cr3Mo3NiNb steel can endure higher total strain amplitude andplastic strain amplitude at a given number of reversals to failure within 10~4. 25Cr3Mo3NiNb steelis expected to be a good gun steel with high LCF properties because only several thousand firingsare required for gun barrel in most cases.

关键词： high strength steel low cycle fatigue mechanical property

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回火温度对2300MPa级低合金超高强度钢组织及力学性能的影响

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钢铁研究学报 2024年第5期36卷 660-668页

作者：谢地荣薛彦均尉文超时捷王毛球肖寒昆明理工大学材料科学与工程学院云南昆明650093 钢铁研究总院有限公司特殊钢研究院北京100081

超高强度钢强度的提高有利于实现构件的轻量化。目前广泛应用超高强度钢板的强度普遍不高于2 000 MPa,针对一种强度为2 300 MPa级的超高强度钢,通过SEM、TEM和物理化学相分析等方法研究了回火温度对其显微组织及力学性能的影响。结果表... 详细信息

超高强度钢强度的提高有利于实现构件的轻量化。目前广泛应用超高强度钢板的强度普遍不高于2 000 MPa,针对一种强度为2 300 MPa级的超高强度钢,通过SEM、TEM和物理化学相分析等方法研究了回火温度对其显微组织及力学性能的影响。结果表明,经140~230℃不同温度回火处理后,实验钢显微组织均为板条马氏体和ε-碳化物,ε-碳化物质量分数随回火温度的升高从0.196%增加至0.718%。随回火温度的升高,实验钢的抗拉强度从2 441 MPa降低至2 169 MPa、屈服强度从1 720 MPa升高至1 825 MPa、冲击吸收功在19 J/cm^(2)上下波动。ε-碳化物的析出提高了析出强化效果,使得实验钢的屈服强度升高,马氏体中固溶碳含量的下降,使得实验钢的抗拉强度下降。

关键词： 2300MPa级低合金超高强度钢回火温度显微组织力学性能

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S含量对18CrNiMo7-6齿轮钢中夹杂物和疲劳性能的影响

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特殊钢 2024年第1期45卷 111-116页

作者：尉文超谢地荣时捷王毛球钢铁研究总院有限公司特殊钢研究院北京100081

以w[S]为0.002%(低S含量)和0.022%(高S含量)的两种18CrNiMo7-6齿轮钢为研究对象,参照齿轮热处理工艺获得伪渗碳试样,并对其力学性能、显微组织、疲劳性能和夹杂物分布进行了分析表征。结果表明,两种齿轮钢的强度基本相当,而高S含量试验... 详细信息

以w[S]为0.002%(低S含量)和0.022%(高S含量)的两种18CrNiMo7-6齿轮钢为研究对象,参照齿轮热处理工艺获得伪渗碳试样,并对其力学性能、显微组织、疲劳性能和夹杂物分布进行了分析表征。结果表明,两种齿轮钢的强度基本相当,而高S含量试验钢具有更好的塑性和低温冲击韧性,并且其疲劳极限、疲劳寿命均优于低S含量试验钢,疲强比由0.445提高到0.479。S含量显著影响钢中的夹杂物分布情况:低S含量试验钢中夹杂物以MnS-Oxide为主,数量较少,同时尺寸更大;而高S含量试验钢夹杂物以CaS-MnS-Oxide复合型夹杂物为主,数量提高1倍以上,但尺寸更为细小。高S含量试验钢采用Ca处理工艺对夹杂物进行改性,夹杂物尺寸明显细化,有利于钢的塑韧性提升,并改善疲劳性能。

关键词： 18CrNiMo7-6齿轮钢力学性能疲劳性能非金属夹杂物硫含量

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Effect of Microstructure Refinement on the Strength and Toughness of Low Alloy Martensitic Steel

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Journal of Materials Science & Technology 2007年第5期23卷 659-664页

作者： Chunfang wang maoqiu wang Jie SHI Weijun HUI Han DONG National Engineering Research Center of Advanced Steei Technology Central Iron and Steel Research Institute Beijing100081 China

Martensitic microstructure in quenched and tempered 17CrNiMo6 steel with the prior austenite grain size ranging from 6 μm to 199 μm has been characterized by optical metallography （OM）, scanning electron microscopy （SEM） and transmission electron microscopy （TEM）. The yield strength and the toughness of the steel with various prior austenite grain sizes were tested and correlated with microstructure characteristics. Results show that both the prior austenite grain size and the martensitic packet size in the 17CrNiMo6 steel follow a HalI-Petch relation with the yield strength. When the prior austenite grain size was refined from 199 μm to 6 μm , the yield strength increased by 235 MPa, while the Charpy U-notch impact energy at 77 K improved more than 8 times, indicating that microstructure refinement is more effective in improving the resistance to cleavage fracture than in increasing the strength. The fracture surfaces implied that the unit crack path for cleavage fracture is identified as being the packet.

关键词： Martensitic steel Grain refinement Strength Impact toughness Cleavage fracture

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Austenite/martensite structure and corresponding ultrahigh strength and high ductility of steels processed by Q&P techniques

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Science China(Technological Sciences) 2012年第7期55卷 1844-1851页

作者： wang CunYu ZHANG YuJie CAO WenQuan SHI Jie wang maoqiu DONG Han Central Iron&Steel Research Institute Beijing 100081China Faculty of Materials and Metallurgical Engineering Kunming University of Science&TechnologyKunming 650093China

The microstructure of steels treated by Q&P(quenching and partitioning) process was characterized,a method of controlling retained austenite fraction based on inhomogeneous martensitic transformation was proposed,and the mechanical properties of steels treated by Q&P process were measured.The results show that the microstructure of the studied steels is mainly composed of initial martensite,fresh martensite and retained austenite.The initial marteniste formed at the first quenching step is easily etched;the fresh martensite formed at the final quenching step looks like 'blocky' type phase,and the retained austenite is mainly located on the packet boundary and initial austenite grain boundary.The inhomogeneous microstructure causes the experimental optimum quenching temperature corresponding to maximum retained austenite fraction to be higher than the calculation based on CPE(constrained paraequilibrium) model.The product of tensile strength and total tensile elongation is 47.5 GPa%,and tensile strength of 1760 MPa was obtained for the steel with carbon content of 0.51 wt%.The TRIP(transformation induced plasticity) effects of the large fractioned metastable austenite make a main contribution to the high ductility improvement,and the martensitic matrix provides high strength.

关键词：马氏体结构残余奥氏体高韧性钢超高强度淬火温度拉伸强度相变诱发塑性晶粒边界

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Microstructures and mechanical properties of the third generation automobile steels fabricated by ART-annealing

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Science China(Technological Sciences) 2012年第7期55卷 1814-1822页

作者： CAO WenQuan wang Chang wang CunYu SHI Jie wang maoqiu DONG Han WENG YuQing Central Iron&Steel Research Institute(CISRI) Beijing 100081China Chinese Society for Metals Beijing 100711China

The mechanical properties dependence on the microstructure was reviewed and analyzed,and the ultrafine grained duplex microstructure of BCC matrix and large fractioned austenite was given as one of the optimum structures to develop the third generation steel with high strength and high ductility.The medium-Mn steels with different carbon contents processed by austenite reverted transformation(ART-annealing) were studied thoroughly to fabricate the ultrafine duplex steels with large fractioned austenite.The lamellar typed ultrafine structure,the granular typed ultrafine duplex structure and the corresponding mechanical properties of the medium-Mn steels processed by ART-annealing were demonstrated in this paper.It was revealed that the duplex structure with large fraction of austenite and ultrafine grain structure is capable of producing steels with excellent combination of strength and ductility,i.e.,Rm A about 30-50 GPa%,which is about two times of that of the conventional automobile steels and close to that of the TWIP steels.It was concluded that the ART-annealing of the medium-Mn steels would be at least one of the promising ways to fabricate the third generation automobile steels in the near future.

关键词：退火处理力学性能汽车钢显微组织第三代艺术制备复式结构

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Solution and Precipitation Behavior of Nb and Its Role in Medium Carbon Long Product Steels

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Journal of Mechanics Engineering and Automation 2022年第1期12卷 1-14页

作者： Zhang Yongqing wang maoqiu Yong Qilong Jose MRodriguez-Ibabe Leonardo Silvestre China Iron&Steel Research Institute Group No.76 Xueyuan NanluHaidianBeijing 100081China CITIC Metal Co. Ltd.Room 1901 Capital MansionBeijing 100004China Ceit Research Institute P.M.Lardizabal 15Donostia San Sebastian 20018Spain CBMM Av.Brg.Faria Lima4285São Paulo-SP 04538-133Brazil

Controlling of the solution and precipitation for microalloying additions of Nb,V,Ti and their combination is the basic building block of microalloyed steels.Among three microalloying elements,Nb has been regarded the most effective microalloying ingredient used for low carbon flat products due to marked strengthening effect of grain refinement and relatively weak precipitation strengthening effect by matching proper thermomechanical processing(TMP).However,Nb was not viewed as attractive as V for medium carbon long products in the past because of limited solubility during reheating process.What is more,hot working is usually carried out at high temperatures in the recrystallization regime,so it is difficult to exert conventional controlled rolling to obtain pancaked austenite,which has further affected the research and application of Nb in medium carbon long products.Because of these factors,studies of Nb in medium carbon long products were incomplete,and even some recognitions and conclusions are subjected to debate.In order to clarify the strengthening effects of Nb in medium carbon long products,the reinforcing bars have been chosen as experimental steels to clarify the role of Nb on microstructural changes along the whole hot working,cooling processes.In addition,qualitative and quantitative analyses of Nb’s state and distribution in reheating,rolling and cooling had been carried out to illustrate some singularities.

关键词： Nb microalloying solution and precipitation transformation strengthening hardenability

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Ni含量对NiAl-Cu强化40CrNi3MoV钢组织和力学性能的影响

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金属热处理 2023年第8期48卷 1-7页

作者：梁恩溥徐乐杨勇王毛球钢铁研究总院有限公司特殊钢研究院北京100081 重庆长安望江工业集团有限公司重庆404135

针对NiAl-Cu析出强化的40CrNi3MoV钢,研究了不同Ni含量对经450~650℃回火后的试验钢组织和力学性能的影响。采用OM表征试验钢的显微组织,利用TEM和EDS等手段表征试验钢中析出相,并通过室温拉伸和低温冲击试验测定试验钢的力学性能。结... 详细信息

针对NiAl-Cu析出强化的40CrNi3MoV钢,研究了不同Ni含量对经450~650℃回火后的试验钢组织和力学性能的影响。采用OM表征试验钢的显微组织,利用TEM和EDS等手段表征试验钢中析出相,并通过室温拉伸和低温冲击试验测定试验钢的力学性能。结果表明,Ni含量对试验钢的显微组织没有明显影响。Ni含量的提高(3.0%~4.0%)促进了试验钢中富Cu相和NiAl相的析出,增加了纳米粒子析出的数量。Ni含量的提高使得试验钢经500℃回火后的抗拉强度和屈服强度分别提高了200 MPa和100 MPa。

关键词： 40CrNi3MoV钢回火温度力学性能 Ni含量 NiAl-Cu纳米复合析出

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