Tix(AlNbZr)100-x系多主元合金力学性能的第一性原理研究

通过对合金的固溶体参数以及相比例图进行计算,研究了Ti_x(AlNbZr)_100-x系多主元合金的固溶体相形成规律,运用基于密度泛函理论的第一性原理方法研究了Ti含量变化对Ti_x(AlNbZr)_100-x系多主元合金结构稳定性以及力学性能的影响。结果表明,Ti_x(AlNbZr)_100-x系多主元合金可以形成稳定的固溶体相,且合金主要由BCC相和Al₃Zr₅相组成,随Ti含量增加,合金的液相线降低,Al₃Zr₅相的相形成温度减小,直到Ti含量为60%~70%时,Al₃Zr₅相消失,合金由单一BCC相组成;Ti含量增加可以提高合金的结构稳定性,当Ti含量为25%~70%时,合金具有良好的力学稳定性,合金的体积模量、剪切模量以及杨氏模量随着Ti含量的增加呈上升趋势。Ti_x(AlNbZr)_100-x系多主元合金的基态能量和形成热随着Ti含量的增加而降低,表明增加Ti含量可以增加该合金系的热力学稳定性,使合金更易形成固溶体相。     

Al含量对热轧FeMnCoCr系高熵合金组织和性能的影响

研究了Al含量对(Fe₅₀Mn₃₀Co₁₀Cr₁₀)_100-xAl_x高熵合金微观组织、变形机制和拉伸性能的影响。采用真空电弧熔炼炉制备合金铸锭,对合金进行压下率为80%的热轧火淬,利用SEM和EBSD对合金的组织结构进行了分析。结果表明,随着Al含量(原子分数,下同)由0%增加到6%,热轧淬火后合金组织由FCC+HCP双相转变成FCC单相,Al含量为8%时产生了BCC相;随着Al含量由0%增加到6%,在拉伸过程中TRIP效应受到抑制,TWIP效应明显增加,合金的屈服强度变化不大,抗拉强度稍有降低,断后伸长率显著增加,当Al含量为6%时断后伸长率达到最高,为79%。     

超音速火焰喷涂FeCrSiB涂层的腐蚀行为

采用超音速火焰(high velocity oxygen fuel,HVOF)喷涂技术在Q235钢基体上制备了FeCrSiB合金涂层.利用X射线衍射仪、扫描电子显微镜、电化学工作站等设备对涂层的显微组织结构和耐腐蚀性进行了研究.结果表明,采用HVOF喷涂技术制备的FeCrSiB涂层结构致密,孔隙率为0.65%,与基体结合良好.FeCrSiB涂层在3.5%NaCl溶液、1 mol/L HCl溶液和1 mol/L NaOH溶液中都经历了活性溶解-钝化-过钝化的过程,且该涂层在3.5%NaCl溶液和1 mol/L HCl溶液中的耐腐蚀性能要优于镀铬层,在1 mol/L NaOH溶液中的耐腐蚀性能低于镀铬层.     

Zn-Sn-Cu-xNi无铅焊料合金的电化学腐蚀行为（英文）

通过铸造法制备Zn-30Sn-2Cu-xNi (x=0, 0.5, 1.0, 1.5,质量分数,%)无铅焊料合金,并研究该合金的微观组织演化及在0.5 mol/L Na Cl溶液中的腐蚀行为。采用电位动力学极化和电化学阻抗谱(EIS)技术研究其电化学行为,以此评估Ni元素含量对Zn-Sn-Cu合金腐蚀性能的影响。通过观察腐蚀过程中合金表面显微组织的演变,分析Zn-Sn-Cu-Ni合金的腐蚀机理。结果表明,添加0.5%Ni由于形成致密而均匀的腐蚀层从而有效提高Zn-30Sn-2Cu合金的耐腐蚀性能,且其主要腐蚀产物为Zn O, Zn(OH)₂和Zn₅(OH)₈Cl₂·H₂O。当Ni含量达到1.0%和1.5%时,Zn-30Sn-2Cu合金的耐腐蚀性能下降,主要是由于(Ni,Cu)₅Zn₂₁金属间化合物与富Zn相之间的电偶腐蚀加速富Zn相的溶解。因此,Zn-30Sn-2Cu-0.5Ni焊料合金具有最佳的耐腐蚀性能。     

镀镍多壁碳纳米管对Sn-3.0Ag-0.5Cu无铅钎料焊点界面行为的影响

采用机械混合法制备了不同含量(0、0.05、0.1、0.2、0.5wt%)镀镍多壁碳纳米管(Ni-CNTs)复合Sn-3.0Ag-0.5Cu(SAC305)无铅钎料。采用F4N回流炉对SAC305-x(Ni-CNTs)钎料进行回流焊,利用电热鼓风干燥箱对焊点试样进行170 ℃时效(t=0、48 h)处理。结合DTA、SEM、EDS等分析手段研究了不同镀镍碳纳米管含量对Sn-3.0Ag-0.5Cu钎料润湿性、熔点和焊点界面金属间化合物(IMC)层的影响。结果表明:Ni-CNTs可以显著改善钎料的润湿性,降低钎料熔点;此外,Ni-CNTs可以有效抑制界面IMC层的生长,同时改变界面IMC组成。综合比较得出Ni-CNTs最佳添加量为0.05%,与Sn-3.0Ag-0.5Cu钎料相比,润湿角降低49.76%,熔点降低0.331 ℃;时效后界面IMC层厚度4.292 μm(t=0 h)、5.238 μm(t=48 h)相对于SAC305钎料界面IMC厚度6.529 μm(t=0 h)、8.255 μm(t=48 h)分别降低了34.26%(t=0 h)、36.55%(t=48 h),界面IMC层相组成转变为(Cu_1-xNi_x)₆Sn₅和(Cu_1-xNi_x)₃Sn。     

Inconel617合金表面电子束熔覆NbMoCr显微组织和耐腐蚀性的探讨

为了提高Inconel617合金(简称617合金)材料的表面性能,利用电子束熔覆技术在617合金表面制备了NbMoCr熔覆层. 对它的显微组织、硬度和耐腐蚀性能进行了研究,并与617合金进行了对比. 结果表明,NbMoCr熔覆层的组织更均匀,晶粒更细小,气孔等缺陷更少,且生成了微量M₂₃C₆,Cr₇C₃,Cr₄Si₄Al₁₃,CoCx等硬质相,提高了熔覆层的表面硬度及耐腐蚀性. 经检测,熔覆层硬度相比617合金硬度高出86 HV10. 电化学腐蚀测试表明,在1 mol/L H₂SO₄溶液中,617合金自腐蚀电流密度是NbMoCr熔覆层的5.16倍;在3.5 %的NaCl溶液中,617合金自腐蚀电流密度是NbMoCr熔覆层的4.6倍;在1 mol/L NaOH 溶液中,617合金自腐蚀电流密度是NbMoCr熔覆层的3.12倍.     

超高强热成形钢TSCR中微米级Ti(Cx,N1-x)的析出演变

超高强热成型钢薄板坯连铸连轧(TSCR)工艺生产过程中,合理控制工艺参数,尽可能减少铸坯中粗大第二相的析出是保证产品质量和生产顺行的关键。明确粗大的微米级Ti(C_x,N_1-x)析出相在TSCR工艺流程中析出演变规律对实际生产中质量控制和工艺参数优化具有重要的指导意义。本研究通过热力学计算和试验研究相结合的方式,对超高强热成型钢TSCR工艺连铸及均热这一连续过程中微米Ti(C_x,N_1-x)析出相的析出演变行为进行了研究;明确了该过程中微米Ti(C_x,N_1-x)相“析出-回溶-粗化”的演变规律,并对其析出长大速度、回溶速度以及粗化速度做了定量分析。结果表明,22MnB5钢中粗大的微米级Ti(C_x,N_1-x)析出相在凝固末期液相中开始析出,开始析出的固相率为0.912。随着连铸温度不断降低,微米级Ti(C_x,N_1-x)相中x值由0.1增大到0.7,Ti(C_x,N_1-x)析出相逐渐由富氮相逐渐转变为富碳相。微米级Ti(C_x,N_1-x)相在连铸冷却过程中不断长大,在升温过程中又部分回溶于基体中,随后在保温阶段再次长大。在TSCR工艺连铸和均热过程降温、升温、保温阶段,微米级Ti(C_x,N_1-x)析出相颗粒生长、回溶、粗化的平均速度分别为0.007 2、-0.001 5、1.95×10-4 μm/s。     

Ti对(Zr_(0.55)Al_(0.1)Ni_(0.05)Cu_(0.3))_(100-x)Ti_x块体金属玻璃显微组织、力学及腐蚀性能的影响（英文）

采用铜模吸铸法制备(Zr_(0.55)Al_(0.1)Ni_(0.05)Cu_(0.3))_(100-x)Ti_x合金,利用X射线衍射、扫描电镜、压缩实验及腐蚀测试等手段研究Ti对合金显微组织、力学和腐蚀性能的影响。结果表明,当Ti含量高于4%(摩尔分数)时,合金中出现大量晶化相;而当Ti含量为1%~3%Ti时,合金的压缩应力-应变曲线上出现屈服现象。添加适量的Ti元素能提高合金的强度及韧性。在1 mol/L NaOH溶液中浸泡144 h后,(Zr_(0.55)Al_(0.1)Ni_(0.05)Cu_(0.3))_(100-x)Ti_x合金质量无明显变化,表现出良好的耐腐蚀性能;而在1 mol/L HCl溶液中则会发生腐蚀,但适量的Ti元素添加可显著提高合金在盐酸溶液中的耐腐蚀性能。     

类金刚石薄膜在腐蚀介质中的摩擦磨损行为研究

目的 在304不锈钢表面制备DLC薄膜,并探究其在1 mol/L NaOH、3.5%NaCl、1 mol/L H2SO4溶液中的摩擦磨损行为。方法 通过非平衡磁控溅射设备（UPD650）制备DLC薄膜。采用扫描电子显微镜、拉曼光谱仪,对DLC薄膜的微观结构及磨斑、磨痕进行表征。使用划痕仪和纳米压痕仪,分别测试DLC薄膜的结合力、硬度和弹性模量。使用接触角测量仪测试1 mol/L NaOH、3.5%NaCl、1 mol/L H2SO4溶液和去离子水在304不锈钢和DLC薄膜表面的润湿角。采用CSM摩擦试验机研究304不锈钢和DLC薄膜的摩擦磨损行为。利用动电位极化评价304不锈钢和DLC薄膜的耐腐蚀性能。结果 304不锈钢表面制备的薄膜厚度约1.95 μm,结合力为37 N左右,硬度和弹性模量分别约为14.7 GPa和191.1 GPa。DLC薄膜在1 mol/L NaOH溶液中的摩擦系数高达0.18,而在3.5%NaCl、1 mol/L H2SO4溶液和去离子水中的摩擦系数低至0.05左右。在1 mol/L NaOH、3.5%NaCl、1 mol/L H2SO4溶液中,DLC薄膜的磨损率比304不锈钢的小2、3个数量级。极化测试结果显示,DLC薄膜在不同介质中的腐蚀电流密度顺序为1 mol/L H2SO4<3.5%NaCl<1 mol/L NaOH。结论 沉积的DLC薄膜具有良好的机械性能和耐腐蚀性能,能够很好地改善304不锈钢在1 mol/L NaOH、3.5%NaCl、1 mol/L H2SO4溶液中的摩擦磨损性能。     

Zr_(56)Cu_(19)Ni_(11)Al_9Nb_5非晶合金的腐蚀行为

通过浸泡法、动电位极化法、扫描电镜(SEM)、能谱分析(EDX)和X射线光电子能谱(XPS),研究了Zr_(56)Cu_(19)Ni_(11)Al_9Nb_5非晶合金分别在3.5%的NaCl、1mol/L的NaOH和1mol/L的H_2SO_4溶液中的腐蚀和电化学性能。结果表明,试样在3.5%的NaCl、1mol/L的NaOH和1mol/L的H_2SO_4溶液中浸泡2 256h后,肉眼未发现明显腐蚀。SEM观察发现试样发生局部腐蚀,耐腐蚀性在3.5%的NaCl溶液中最差,在1mol/L的NaOH溶液中次之,在1mol/L的H_2SO_4溶液中最好。动电位极化测试结果表明,在3.5%的NaCl溶液中未发生钝化,由于Cl~-的破坏作用,钝化膜发生局部溶解,腐蚀电流密度最大,耐腐蚀性最差。在1mol/L的NaOH和1mol/L的H_2SO_4溶液中发生钝化,生成致密而稳定的钝化膜,且在1mol/L的H_2SO_4溶液中自腐蚀电位和点蚀电位更高,腐蚀电流密度更小,钝化区更宽,钝化膜的稳定性和保护性能更好,耐腐蚀性更好。EDX和XPS分析表明,试样在3.5%的NaCl、1mol/L的NaOH和1mol/L的H_2SO_4溶液中的腐蚀产物主要为ZrO_2、Cu_2O、Al_2O_3、NiO和Nb_2O_5。     

Electrochemical behaviour assessment of novel Mg-rich Mg–Al–RE alloys (RE = Ce, Er)

The electrochemical behaviour of new Mg–Al–RE (RE = Ce, Er) alloys AE91 was investigated in 0.01 M NaCl electrolyte (pH = 12) and compared with that of the most commonly used Mg alloy in the automotive field, the AZ91D. Scanning electron microscopy and quantitative electron probe microanalysis were used to characterize the samples prior to the electrochemical tests. AE91 alloys showed very similar microstructures characterized by a three-phase appearance: a Mg-based solid solution containing only Al and two intermetallic phases γ(Mg₁₇Al₁₂) and (Al_1 − xMg_x)₃Ce or (Al_1 − xMg_x)₂Er. Free corrosion potential measurements, potentiodynamic polarization curves and electrochemical impedance spectroscopy revealed improved passivity behaviour compared to AZ91D alloy. The apparent presence of trace amounts of rare earth oxides in the passive film is presumed to be the reason for the enhanced corrosion resistance of AE91 alloys in the aggressive environment considered.     

Novel (CoFe_2NiV_(0.5)Mo_(0.2))_(100-x)Nb_x Eutectic High-Entropy Alloys with Excellent Combination of Mechanical and Corrosion Properties

The emergence of eutectic high-entropy alloys(EHEAs) offers new insights into the design of next generation structural alloys,which is due to their stable dual-phase microstructure and outstanding mechanical properties from room to elevated temperatures.In this work,a series of(CoFe_2 NiV_(0.5)Mo_(0.2))_(100-x)Nb_x(0≤x ≤12) EHEAs were designed and prepared via vacuum arc-melting.Typical eutectic microstructure composing lamellar face-centered cubic solid solution phase and C14 Laves phase appears in the as-cast EHEA when x=9.The microstructure turns to hypoeutectic or hypereutectic when x is below or beyond that critical value accordingly.The volume fraction of the hard Laves phase is proportional to the Nb addition,leading to the strength increment yet at the expense of ductility at room temperature.In particular,the EHEA having4 at% Nb shows a compressive strength of 2.1 GPa with an elongation to fracture of 45%,while EHEAs containing 9 and10 at% Nb exhibit ultrahigh yield strengths of over 1.4 GPa.The effect of Nb addition on the corrosion resistance of this Crfree EHEA system was also studied.The EHEA containing 9 at% Nb has the best anti-corrosion performance in the 3.5 wt%NaCl solution at 298±1 K,indicating a good combination of mechanical and corrosion properties.     

Cr含量对CrxMoNbTiZr系高熵合金组织与性能的影响

采用真空电弧熔炼的方法制备了Cr_xMoNbTiZr系高熵合金(x=0, 0.5, 1, 1.5)。利用X射线衍射仪(XRD)、扫描电镜(SEM)、能谱仪(EDS)、显微硬度计以及电化学工作站研究了Cr含量对该高熵合金结构、组织、硬度和耐蚀性能的影响。结果表明,Cr的添加使合金由单相BCC结构转变为富Zr相与富Mo-Nb相的双相BCC结构,随着Cr含量增加,在富Zr相中还有富Cr的Laves相析出;Cr_1.5MoNbTiZr合金具有最高硬度765.53 HV,这是由于第二相析出强化、固溶强化与高熵合金晶格畸变的共同作用;Cr的加入增加了Cr_xMoNbTiZr系高熵合金在质量分数为3.5%NaCl溶液中发生腐蚀倾向,但降低了该系高熵合金的腐蚀速率,同时发现Cr的添加存在一个临界值来保证合金的抗点蚀能力,超过这个临界值合金就会更容易发生点蚀现象。     

First-Principles Investigation on Phase Stability,Elastic and Magnetic Properties of Boron Doping in Ni-Mn-Ti Alloy

The all-d-metal Ni-Mn-Ti Heusler alloy has giant elastocaloric effect and excellent mechanical properties, which is different from the conventional Ni-Mn-based Heusler alloys. In this work, the preferred site occupation, phase stability, martensitic transformation, magnetic properties, and electronic structure of the B-doped Ni₂Mn_1.5Ti_0.5 alloys are systematically investigated by the first-principles calculations. The results show that B atoms preferentially occupy the octahedral interstitial. The doped B atoms tend to exist in the (Ni₂Mn_1.5Ti_0.5)_1-xB_x (x = 0.03, 0.06, 0.09) alloy in the form of aggregation distribution, and the martensitic transformation temperature decreases with the increase in the B content. For octahedral interstitial doping, the toughness and plasticity of the (Ni₂Mn_1.5Ti_0.5)_1-xB_x alloys decrease, but the strength and rigidity are greatly enhanced. This is because a small part of the d-d hybridization in ternary Ni-Mn-Ti alloy is replaced by the p-d hybridization in Ni-Mn-Ti-B alloy.     

Influence of Nb and Mo contents on phase stability and elastic property of β-type Ti-X alloys

The energetic, electronic structure and elastic property offl-type Ti-Xx （X=Nb and Mo, x=0.041 7, 0.062 5, 0.125 0, 0.187 5, 0.250 0, 0.312 5 and 0.375） binary alloys were calculated by the method of supercell and augmented plane waves plus local orbitals within generalized gradient approximation. The elastic moduli of the polycrystals for these Ti1-xXx alloys were calculated from the elastic constants of the single crystal by the Voigt-Reuss-Hill averaging method. Based on the calculated results, the influence of X content on the phase stability and elastic property offl-type Ti1-xXx alloys was investigated. The results show that the phase stability, tetragonal shear constant C, bulk modulus, elastic modulus and shear modulus offl-type Ti1-xXx alloys increase with an increase of X content monotonously. When the valence electron number offl-type Ti1-xXx alloys is around 4.10, i.e. the content of Nb is 9.87% （molar fraction） in the Ti-Nb alloy and Mo is 4.77% （molar fraction） in Ti-Mo alloy, the tetragonal shear constant is nearly zero. The Ti1-xXx alloys achieve low phase stability and low elastic modulus when the tetragonal shear constant reaches nearly zero. In addition, the phase stability offl-type Ti1-xXx alloys was discussed together with the calculated electronic structure.     

Comparative Study on Corrosion Behavior and Mechanism of As-Cast Mg-Zn-Y and Mg-Zn-Gd Alloys

Rare earth (RE) elements have large solid solubility in magnesium and are widely used to regulate the microstructure and property of advanced magnesium alloys. However, different kinds of RE elements have different effects on microstructure and property of the alloy. In this study, a Mg-Zn-Y alloy and a Mg-Zn-Gd alloy with alloying elements of the same atomic percentage were designed to clarify the effect of yttrium (Y) and gadolinium (Gd) on the corrosion behavior of as-cast MgZn₂Y_2.66 and MgZn₂Gd_2.66 alloys. The results show that the MgZn₂Y_2.66 alloy is mainly composed of α-Mg phase and long period stacking ordered (LPSO) phase, while MgZn₂Gd_2.66 alloy is mainly composed of α-Mg phase and (Mg, Gd)₃Zn phase (W phase). Generally speaking, the corrosion phenomena of the two alloys in 3.5 wt% NaCl solution are similar. In the early stages of exposure, the alloys underwent uniform corrosion at a relatively low corrosion rate. With prolonged exposure, localized corrosion became dominated and the corrosion rate was greatly increased. However, the corrosion rate of the MgZn₂Y_2.66 alloy, in terms of the corrosion current density, is about one order of magnitude lower than that of the MgZn₂Gd_2.66 alloy. The high corrosion resistance of the MgZn₂Y_2.66 alloy is mainly attributed to the presence of LPSO phase in form of continuous networks and the relatively high corrosion resistance of the corrosion product layer on the alloy.     

Effect of Nb Content on Microstructure and Mechanical Properties of Mo0.25V0.25Ti1.5Zr0.5Nbx High-Entropy Alloys

High-entropy alloys (HEAs) have significant application prospects as promising candidate materials for nuclear industry due to their excellent mechanical properties, corrosion resistance and irradiation resistance. In this work, the Mo_0.25V_0.25Ti_1.5Zr_0.5Nb_x (x = 0, 0.25, 0.5, 0.75 and 1.0) HEAs were designed and fabricated. The alloys were prepared by vacuum arc melting, and all the ingots were annealed at 1200 °C for 24 h. The microstructures, crystal structures, hardness and mechanical properties of Mo_0.25V_0.25Ti_1.5Zr_0.5Nb_x HEAs were investigated. The as-cast alloys are composed of single BCC phase. Moreover, the single BCC phase is retained after annealing at 1200 °C for 24 h. The compressive and microhardness tests show that the strength and hardness of the alloys decrease gradually with the increase of Nb content, while the plasticity increases and the fracture mode of the alloy changes from brittle fracture to ductile fracture, which is mainly owing to the decrease of grain size. The addition of Nb significantly improves the plasticity of the Mo_0.25V_0.25Ti_1.5Zr_0.5Nb_x alloys. In particular, Nb1.0 alloy can reach 28.32 % strain without fracture, which exhibits promising potential in industrial application.     

Effect of AI content on the phase structure and the hydrogenation characteristic of La（Mg1-xAlx） alloys

La（Mg1-xAlx） （x=0.2, 0.4, 0.6, 0.8） alloys have been prepared using induction melting followed by annealing. It is found that partial substitution of Mg by Al does not lead to a change in crystal structure, and the alloys have a single LaMg phase when x 〈 0.4. The lattice parameter of the LaMg phase decreases obviously after the partial substitution of Mg by Al. However, further substitution of Mg by Al leads to the coexistence of multiple phases when x ≥ 0.6. The alloys consist of the LaMg, LaAl, LaAl2, and La5Al4 phases. The LaMg phase decreases, whereas the La5Al4 phase increases with the increase in x. The Al-substituted La（Mgo.6Al0.4） alloy can be hydrogenated into the tetragonal LaH3, cubic LaH3, MgH2, and LaPd under 5 MPa at 473 K for 5 d.