Electronic Structure Evolution during Martensitic Phase Transition in All-d-Metal Heusler Compounds: The Case of Pd_(2)MnTi

Taking Pd_(2)MnTi as a representative example,we systematically investigate and theoretically reveal the electronic structure evolution during martensitic phase transition in all-d-metal Heusler compounds.The calculation and theoretical analysis suggest that Pd_(2)MnTi is not stable in cubic structure and prone to transform to lowsymmetric tetragonal structure.By tetragonal deformation,the shrinkage of lattice parameters and the decrease of symmetry promote the electron accumulation between Pd and its first nearest neighboring Ti atom,resulting in the increasing covalent hybridization.The occurrence of pseudogap in density of states of tetragonal Pd_(2)MnTi near the Fermi level also verifies the enhancement of covalent bond.Comparatively,the stronger interatomic bond in tetragonal Pd_(2)MnTi,i.e.,covalent bond here,would strengthen interatomic coupling and consequently lower the energy of the material.By the martensitic phase transition,more stable states in energy are achieved.Thus,based on the analysis of electronic structure evolution,the nature of martensitic phase transition is a process wherein symmetry breaking weakens the original weak chemical bonds in high-symmetric parent phase and induces the strong chemical bond to lower the energy of the materials and to achieve a more stable state.This study could help to deepen the understanding of martensitic phase transition and the exploration of novel materials for potential technical applications.

Pre-existing orthorhombic embryos-induced hexagonal-orthorhombic martensitic transformation in MnNiSi_(1-x)(CoNiGe)_x alloy

The thermal-elastic martensitic transformation from high-temperature Ni_(2)In-type hexagonal structure to low-temperature TiNiSi-type orthorhombic structure has been widely studied in MnMX(M=Ni or Co,and X=Ge or Si)alloys.However,the answer to how the orthorhombic martensite nucleates and grows within the hexagonal parent is still unclear.In this work,the hexagonal-orthorhombic martensitic transformation in a Co and Ge co-substituted MnNiSi is investigated.One can find some orthorhombic laths embedded in the hexagonal parent at a temperature above the martensitic transformation start temperature(M_(s)).With the the sample cooing to M_(s),the laths turn broader,indicating that the martensitic transformation starts from these pre-existing orthorhombic laths.Microstructure observation suggests that these pre-existing orthorhombic laths do not originate from the hexagonal-orthorhombic martensitic transformation because of the difference between atomic occupations of doping elements in the hexagonal parent and those in the preexisting orthorhombic laths.The phenomenological crystallographic theory and experimental investigations prove that the pre-existing orthorhombic lath and generated orthorhombic martensite have the same crystallography relationship to the hexagonal parent.Therefore,the orthorhombic martensite can take these pre-existing laths as embryos and grow up.This work implies that the martensitic transformation in MnNiSi_(1-x)(CoNiGe)_(x) alloy is initiated by orthorhombic embryos.

Description of martensitic transformation kinetics in Fe-C-X(X = Ni,Cr,Mn,Si) system by a modified model

Controlling the content of athermal martensite and retained austenite is important to improving the mechanical properties of high-strength steels,but a mechanism for the accurate description of martensitic transformation during the cooling process must be addressed.At present,frequently used semi-empirical kinetics models suffer from huge errors at the beginning of transformation,and most of them fail to exhibit the sigmoidal shape characteristic of transformation curves.To describe the martensitic transformation process accurately,based on the Magee model,we introduced the changes in the nucleation activation energy of martensite with temperature,which led to the varying nucleation rates of this model during martensitic transformation.According to the calculation results,the relative error of the modified model for the martensitic transformation kinetics curves of Fe-C-X(X = Ni,Cr,Mn,Si) alloys reached 9.5% compared with those measured via the thermal expansion method.The relative error was approximately reduced by two-thirds compared with that of the Magee model.The incorporation of nucleation activation energy into the kinetics model contributes to the improvement of its precision.

Unveiling the cellular microstructure-property relations in martensitic stainless steel via laser powder bed fusion

Laser powder bed fusion(LPBF)is a widely recognized additive manufacturing technology that can fabricate complex components rapidly through layer-by-layer formation.However,there is a paucity of research on the effect of laser scanning speed on the cellular microstructure and mechanical properties of martensitic stainless steel.This study systematically investigated the influence of laser scanning speed on the cellular microstructure and mechanical properties of a developed Fe11Cr8Ni5Co3Mo martensitic stainless steel produced by LPBF.The results show that increasing the laser scanning speed from 400 to 1000 mm/s does not lead to a noticeable change in the phase fraction,but it reduces the average size of the cellular microstructure from 0.60 to 0.35μm.The scanning speeds of 400 and 1000 mm/s both had adverse effects on performances of sample,resulting in inadequate fusion and keyhole defects respectively.The optimal scanning speed for fabricating samples was determined to be 800 mm/s,which obtained the highest room temperature tensile strength and elongation,with the ultimate tensile strength measured at(1088.3±2.0)MPa and the elongation of(16.76±0.10)%.Furthermore,the mechanism of the evolution of surface morphology,defects,and energy input were clarified,and the relationship between cellular microstructure size and mechanical properties was also established.

Grain boundary engineering for enhancing intergranular damage resistance of ferritic/martensitic steel P92

Ferritic/martensitic(F/M)steel is widely used as a structural material in thermal and nuclear power plants.However,it is susceptible to intergranular damage,which is a critical issue,under service conditions.In this study,to improve the resistance to intergranular damage of F/M steel,a thermomechanical process(TMP)was employed to achieve a grain boundary engineering(GBE)microstructure in F/M steel P92.The TMP,including cold-rolling thickness reduction of 6%,9%,and 12%,followed by austenitization at 1323 K for 40 min and tempering at 1053 K for 45 min,was applied to the as-received(AR)P92 steel.The prior austenite grain(PAG)size,prior austenite grain boundary character distribution(GBCD),and connectivity of prior austenite grain boundaries(PAGBs)were investigated.Compared to the AR specimen,the PAG size did not change significantly.The fraction of coincident site lattice boundaries(CSLBs,3≤Σ≤29)and Σ3^(n) boundaries along PAGBs decreased with increasing reduction ratio because the recrystallization fraction increased with increasing reduction ratio.The PAGB connectivity of the 6%deformed specimen slightly deteriorated compared with that of the AR specimen.Moreover,potentiodynamic polarization studies revealed that the intergranular damage resistance of the studied steel could be improved by increasing the fraction of CSLBs along the PAGBs,indicating that the TMP,which involves low deformation,could enhance the intergranular damage resistance.

2024年EPMA世界大会2024年9月1日-6日中国·汕头,澳大利亚·珀斯

由汕头大学医学院主办的2024年EPMA世界大会将采用“线上+线下”相结合的方式,于2024年9月1日至6日在中国广东汕头和澳大利亚珀斯两地举行。大会组委会诚挚地邀请您参加会议,并提交您的最新研究成果!

First-principles calculations of Ni–(Co)–Mn–Cu–Ti all-d-metal Heusler alloy on martensitic transformation,mechanical and magnetic properties

The martensitic transformation,mechanical,and magnetic properties of the Ni_(2)Mn_(1.5-x)Cu_(x)Ti_(0.5) (x=0.125,0.25,0.375,0.5) and Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5)[(x=0.125,y=0.125,0.25,0.375,0.5) and (x=0.125,0.25,0.375,y=0.625)]alloys were systematically studied by the first-principles calculations.For the formation energy,the martensite is smaller than the austenite,the Ni–(Co)–Mn–Cu–Ti alloys studied in this work can undergo martensitic transformation.The austenite and non-modulated (NM) martensite always present antiferromagnetic state in the Ni_(2)Mn_(1.5-x)Cu_(x)Ti_(0.5) and Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5) (y<0.625) alloys.When y=0.625 in the Ni_(2-y)Co_(y)Mn_(1.5-x)Cu_(x)Ti_(0.5) series,the austenite presents ferromagnetic state while the NM martensite shows antiferromagnetic state.Cu doping can decrease the thermal hysteresis and anisotropy of the Ni–(Co)–Mn–Ti alloy.Increasing Mn and decreasing Ti content can improve the shear resistance and normal stress resistance,but reduce the toughness in the Ni–Mn–Cu–Ti alloy.And the ductility of the Co–Cu co-doping alloy is inferior to that of the Ni–Mn–Cu–Ti and Ni–Co–Mn–Ti alloys.The electronic density of states was studied to reveal the essence of the mechanical and magnetic properties.

Simulation of the Behaviour Laws in the Thermal Affected Zones of the 13Cr-4Ni Martensitic Stainless Steel

During the welding, many phenomena occur. The materials deform under the action of residual stresses. This tendency is due to the high gradients of temperature during the process. These deformations are really difficult for many professionals operating in the area. In the goal to predict these variations, one has established the behaviour laws which will be applied to evaluate residual stresses and strains. This research is focused on the study of the Thermal Affected Zone (TAZ) during the welding of the 13Cr-4Ni martensitic stainless steel. The TAZ does not know any change of state (solid/liquid). It only knows the metallurgical phase change (austenite/martensite). There are three types of behaviour laws in this study: thermal, mechanical and metallurgical behaviour laws. The thermal behaviour law serves to evaluate the temperature field which induces the mechanical strains. The mechanical behaviour law serves to evaluate spherical stress (pressure) and deviatoric stress which compose the residual stress. It also helps to measure the total strain. The metallurgical behaviour law serves for the evaluation of the metallurgical phase proportions. To validate the modelling developed in this study, one has made the simulations to compare the results obtained with the analytical and experimental data.

Effect of low-temperature tempering on the mechanical properties of cold-rolled martensitic steel

Cold-rolled martensitic steel is an important type of advanced high-strength steel for automobile production.With martensite as its primary microstructure constituent, martensitic steel possesses exceptional high strength despite its low alloy content.As the strength of cold-rolled martensitic steel increases, the martensite and carbon content also increases, leading to a decrease in bending properties and toughness.In this paper, the effect of various tempering parameters on the bending property and impact toughness of a quenched cold-rolled martensitic steel sheet was studied.It is found that after quenching, the ductility and impact toughness of the experimental steel are improved using low-temperature heat treatment.The optimal tempering conditions for ductility and toughness are analyzed.

Effects of Orthogonal Heat Treatment on Microstructure and Mechanical Properties of GN9 Ferritic/Martensitic Steel

Microstructure and mechanical properties of GN9 Ferritic/Martensitic steel for sodium-cooled fast reactors have been investigated through orthogonal design and analysis.Scanning electron microscopy(SEM),transmission electron microscopy(TEM),differential scanning calorimeter(DSC),tensile and impact tests were used to evaluate the heat treatment parameters on yield strength,elongation and ductile-to-brittle transition temperature(DBTT).The results indicate that the microstructures of GN9 steel after orthogonal heat treatments consist of tempered martensite,M23C6,MX carbides and MX carbonitrides.The average prior austenite grains increase and the lath width decreases with the austenitizing temperature increasing from 1000°C to 1080°C.Tempering temperature is the most important factor that influences the dislocation evolution,yield strength and elongation compared with austenitizing tempera-ture and cooling methods.Austenitizing temperature,tempering temperature and cooling methods show interactive effects on DBTT.Carbide morphology and distribution,which is influenced by austenitizing and tempering tempera-tures,is the critical microstructural factor that influences the Charpy impact energy and DBTT.Based on the orthogo-nal design and microstructural analysis,the optimal heat treatment of GN9 steel is austenitizing at 1000°C for 0.5 h followed by air cooling and tempering at 760°C for 1.5 h.

LA-ICPMS与EPMA结合测定铀矿物微区原位U-Pb年龄

晶质铀矿、沥青铀矿、铀石等铀矿物的微区原位U-Pb定年对研究铀矿床有着十分重要的意义。使用激光烧蚀电感耦合等离子体质谱(LA-ICPMS)与电子探针(EPMA)相结合的方法更加准确地测定铀矿物微区原位U-Pb年龄,既解决了EPMA不能测定同位素比值,无法准确扣除普通铅等不足,又解决了目前LA-ICPMS测定的铀矿物标样极少,标样难寻的困扰,从而有利于铀矿物微区原位U-Pb定年技术的推广使用,为铀矿床研究提供更准确的定年数据。这一定年方法不但在铀矿床的年代学研究中有重要的应用,在各种地质体的铀矿物U-Pb同位素年代学研究中也有广阔的应用前景。

镁合金AZ91 HP电子束表面改性EPMA分析

用电子探针(EPMA)对经电子束表面重熔处理的镁合金AZ91HP样品表层和截面进行了分析。结果表明,样品表面发生了明显的扩散效应,第二相Mg17Al12消失,铝元素分布趋向均匀。截面分析结果显示,表面几十微米范围内,第二相减少,且随电子束轰击次数的增加,热影响区范围增大。截面显微硬度呈波动起伏,重熔层硬度提高50%以上,表面耐磨性提高50%以上。

Hydrogen Embrittlement of Nitrogenating Layer on Martensitic Alloys

Nitriding of the surface in martensitic stainless steels is commonly carried out to improve their wear resistance. The process of plasma nitriding in stainless steel is influenced by two mechanisms: physical diffusion through the surface and chemical gas-metal reaction. The inner nitriding interaction involves the simultaneous penetration and formation of a solid solution, as well as the interaction of nitrogen with specific alloying elements, resulting in the development of homogeneous and heterogeneous structures. Our study concludes that the observed intergranular hydrogen embrittlement and crack formation during the surface nitridation process of AMS 5719 martensite alloy steel can be attributed to the ammonium concentration of approximately 50% at a temperature of 530˚C.

基于EPMA的背角无齿蚌贝壳中元素分布的初步研究

应用电子显微探针元素分析技术,对背角无齿蚌(Anodonta woodiana)的贝壳(棱柱层和珍珠层)进行了19种元素(Ag、Al、Au、Ca、Co、Cu、Fe、Hf、Mg、Mn、Mo、Na、Re、Se、Sn、Sr、Tl、V、Zn)分布特征的初步研究.元素面分布分析和定量线分析结果均直观而明显地表明:贝壳中Ca含量最高,Hf、Re、Mn、Al、Co、Fe、Sr、Cu和Na的含量较低,而Au、Mg、Tl、Zn、Sn、Ag、V、Mo和Se的含量甚少.Mn在珍珠层的分布高于棱柱层,壳顶区域的珍珠层的含量(0.087±0.045)%显著高于棱柱层(0.030±0.025)%(P<0.05),腹缘区域的珍珠层的含量(0.072±0.055)%亦显著高于棱柱层(0.044±0.025)%(P<0.05),而其余元素在贝壳中均匀分布.

EPMA在催化剂研究中的应用

本综述对EPMA(electron probe micro-analyzer)的分析原理、发展历史和仪器结构进行了简要概括,重点总结了EPMA分析技术在催化剂研究领域的应用现状,并在此基础上对EPMA在该领域的发展进行了展望。

太阳能热发电用氧化铝基复相陶瓷抗热震性及EPMA分析

为了提高Al2O3陶瓷的抗热震性及强度,在Al2O3基陶瓷中添加SiC、nano-ZrO2+SiC,利用无压烧结工艺,制备了用于太阳能热发电的Al2O3-SiC及Al2O3-ZrO2(3Y)-SiC复相陶瓷。材料的EPMA分析结果表明:样品中ZrO2颗粒在室温下为以亚稳四方相存在,在裂纹尖端应力场的作用下,ZrO2粒子发生四方相→单斜相的相变吸收能量,从而提高了材料强度及断裂韧性;原料中的部分SiC颗粒发生氧化反应,反应生成莫来石,针棒状莫来石形成桥连结构,阻止热震情况下产生的微裂纹发展成危险裂纹,从而提高材料抗热震性。SEM研究显示,SiC晶粒在外力作用下发生穿晶断裂、被拔出及桥结作用。

数据不协调时独居石EPMA CHIME定年计算方法的改进

Th-U-Pb系统数据不协调是独居石电子探针化学定年(EPMA CHIME Dating)中一种很常见的问题。独居石矿物产生数据不协调的主要原因包括:1)蚀变或重结晶造成的铅丢失;2)不同年龄域在空间上的重叠或者存在于很小颗粒上的小年龄域。独居石EPMA年龄必大于U等于0时的极端情况给出的值,即当U为0时,EPMA CHIME年龄给出的是^(208)Pb/^(232)Th年龄,这是测量区域内最老年龄的下限。当Th为0时,EPMA CHIME年龄值介于^(206)Pb/^(238)U和^(207)Pb/^(235)U年龄值之间,这是EPMA法所能得到的最老年龄的上限。分析表明,当独居石EPMA数据出现不协调时,传统等时线方法计算的年龄值误差较大。本文提出了一种处理数据不协调情况下的优化算法。该算法考虑了测量误差,并根据剩余铀的总量剔出大的离散数据。利用已公开的数据进行算法对比的结果表明,本文提出的优化算法计算结果可靠。

云南青铜防腐显微拉曼光谱和EPMA研究

应用显微激光拉曼光谱和EPMA(电子探针技术),对云南的四件青铜器(两件春秋时期的青铜矛和两面元代的青铜镜)的腐蚀情形和防腐技术进行了分析研究。拉曼实验结果表明,云南青铜器表面腐蚀产物的主要成分有Cu2O和CuCO3.Cu(OH)2。利用电子探针技术,确定了青铜器内部和表面的元素成分。本文初步分析了云南四件青铜器防腐技术的应用和发展,春秋战国时期,人们在青铜矛表面涂上一层锡的氧化物涂层以防腐蚀;元代的人则采用合金表面处理技术防腐。事实证明,锡的氧化物涂层的防腐效果最好。对金属文物的研究,显微激光拉曼光谱是一种原位无损检测的有效方法,但还是有某些局限性,若配合以电子探针等测试方法,可以达到更好的效果。

含铜和锡铁液渣化过程中富FeO熔渣的EPMA观察

在感应炉熔炼条件下,研究含铜、锡等元素的铁溶液的渣化过程,并对熔渣进行EPMA观察。结果表明,向熔池中 吹氧氧化铁的同时,有部分铜、锡等元素被氧化,由于金属渣间反应进行的不充分而使金属滞留于熔渣中。富FeO熔渣与铁溶液 的分离不好也是造成熔渣中铜、锡含量偏高的原因之一。在电子探针显微分析中观察到铜、锡等元素在熔渣中的偏析现象。