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Mechanism of Zr poisoning Al-5Ti-B grain refiners based on the first-principles calculation 基于第一性原理计算的Zr毒害Al-5Ti-B晶粒细化剂的机理
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2021-03-04 DOI: 10.1080/13640461.2021.1905329
G. Peng, Y. Gu, X. Fu, G. Song, S.Y. Chen
ABSTRACT First-principles calculation was carried out to investigate the mechanism of Zr poisoning Al-5Ti-B grain refiners via Ti (or Zr)-adsorbed TiB2 models. The results show that the most energetically favourable sites for both adsorptions of Zr and Ti are bridge- and hollow-sites. The calculated results show that (i) adsorption energy of Ti is slightly more negative than that of Zr; (ii) The adsorption distance of Ti with the interface is shorter than that of Zr; (iii) the number of electric charges acquisition of adsorbed Ti is about twice larger than that of Zr; and (iv) the mixed metallic/covalent bonding on the Ti adsorbed interface is stronger than that on the Zr adsorbed interface. All results exhibit Ti atom is stronger than Zr in the adsorption ability. When both Zr and Ti atom co-exist, the adsorption of Zr on TiB2 weakens the adsorption of Ti. Co-adsorption of Ti and Zr exhibits an atomically roughening interface of TiB2. First-principles calculation of Ti and Zr adsorption on TiB2 well explains the mechanism of Zr poisoning Al-5Ti-B grain refiners in thermodynamic in view of the co-adsorption of Zr and Ti deteriorating the nucleating potency of TiB2 for α-Al.
摘要:通过Ti(或Zr)吸附TiB2模型,采用第一性原理计算研究了Zr中毒Al-5Ti-B晶粒细化剂的机理。结果表明,最有利于吸附Zr和Ti的能量位置是桥位和空心位。计算结果表明:(1)Ti的吸附能略大于Zr的负吸附能;(ii) Ti与界面的吸附距离比Zr的吸附距离短;(iii)吸附Ti的电荷获得数约为Zr的2倍;(iv)吸附Ti界面上的混合金属/共价键比吸附Zr界面上的混合金属/共价键强。结果表明,Ti原子的吸附能力强于Zr原子。当Zr和Ti原子共存时,Zr在TiB2上的吸附减弱了对Ti的吸附。Ti和Zr的共吸附表现为TiB2的原子粗化界面。TiB2上Ti和Zr吸附的第一性原理计算很好地解释了Zr中毒Al-5Ti-B晶粒细化剂的热力学机制,因为Zr和Ti的共吸附使TiB2对α-Al的成核能力恶化。
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引用次数: 0
Optimisation of recycled moulding sand composition using the mixture design method 用混合设计法优化再生型砂组成
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2021-03-04 DOI: 10.1080/13640461.2021.1936381
M. Kul, B. Akgul, K. O. Oskay, A. E. Alsan, B. Karaca
ABSTRACT In the cast iron industry, mould sand quality and the most efficient recovery of used sand into the system are critical. For this purpose, the optimum values of the factors (humidity, active bentonite and coal dust) affecting the green strength, gas permeability and shear strength of the mould sand were determined in this study. The optimum mixture ratio, which makes the green strength, gas permeability and shear strength of the mould sand the best, was made by using the mixture design method. As a result of the studies, optimum casting sand composition; the percentage of moisture content, the percentage of coal dust, the percentage of active bentonite and the percentage of recycle sand were determined as 3.92%, 0.05%, 0.30% and 95.73%, respectively. The green compression strength(B1) 23.5 N/cm2, shear strength(B2) 7.7 N/cm2 and gas permeability (B3) 91 mmWS of the conventional cast sand prepared in this optimum composition were measured.
摘要在铸铁行业中,型砂质量和将用过的型砂最有效地回收到系统中至关重要。为此,本研究确定了影响型砂生坯强度、透气性和抗剪强度的因素(湿度、活性膨润土和煤尘)的最佳值。采用配合比设计方法,确定了最佳配合比,使型砂的生坯强度、透气性和抗剪强度达到最佳。通过研究,确定了最佳的型砂组成;水分含量百分比、煤尘百分比、活性膨润土百分比和再生砂百分比分别为3.92%、0.05%、0.30%和95.73%。测定了以该最佳组成制备的传统铸造砂的生坯抗压强度(B1)23.5N/cm2、剪切强度(B2)7.7N/cm2和透气性(B3)91mmWS。
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引用次数: 2
Characterisation of tensile fracture in squeeze casted Al–Si piston alloy 挤压铸造铝硅活塞合金的拉伸断裂特征
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2021-02-25 DOI: 10.1080/13640461.2021.1889163
K. Pratheesh, M. Ravi, M. George
ABSTRACT Nowadays, Squeeze casting is considered as a convenient process for developing quality piston components. In this paper, casting methods such as squeeze casting and die casting techniques are used for compare the tensile behavior of Al-Si piston in the view of casted and heat-treated aspects. K-Nearest Neighbour (KNN) algorithm is used for predicting the tensile fracture of the squeeze casted Al-Si alloy. The proposed method is implemented in the MATLAB platform, and the tensile fracture in casting is compared with the experimental and predicted value. The scanning electron microscope analyzes the microstructural property and fractures analysis of the material. The maximum ultimate tensile strength of the casted and heat-treated specimen is 184 MPa and 297 MPa. The results indicate the proposed approach is an efficient method than the implemented Artificial neural network for predicting the tensile fracture in Aluminium-Silicon alloy materials.
目前,挤压铸造被认为是开发高质量活塞部件的一种方便的工艺。本文采用挤压铸造和压铸等铸造方法,从铸造和热处理两方面对铝硅活塞的拉伸性能进行了比较。采用k -最近邻(KNN)算法预测挤压铸造铝硅合金的拉伸断裂。在MATLAB平台上实现了该方法,并将铸件的拉伸断口与实验值和预测值进行了比较。采用扫描电镜对材料进行了显微组织性能分析和断口分析。铸态和热处理试样的最大抗拉强度分别为184 MPa和297 MPa。结果表明,与人工神经网络相比,该方法是预测铝硅合金材料拉伸断裂的有效方法。
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引用次数: 2
Influence of SAC and eggshell addition in the physical, mechanical and thermal behaviour of Cr reinforced aluminium based composite SAC和蛋壳添加对铬增强铝基复合材料物理、力学和热性能的影响
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2021-01-02 DOI: 10.1080/13640461.2021.1877943
S. Dwivedi, Ambuj Saxena, Shubham Sharma, A. Srivastava, N. Maurya
ABSTRACT In the present study, an attempt has been made to utilise spent alumina catalyst (SAC) and carbonised eggshell (CAES) in the fabrication of AA5052-based composite material. Cr was also added to further enhance the tensile strength, hardness and corrosion resistance of the material. Results showed that by adding 4.5% SAC, 4.5% CAES and 1.5% Cr in aluminium alloy, mechanical properties such as tensile strength, hardness and compressive strength enhanced significantly. Tensile strength, hardness and compressive strength increased by about 11.98%, 37.22% and 23.06%, respectively, concerning the base material. However, the toughness and ductility of composite have been reduced. Microstructure results of Al/4.5% SAC/4.5% CAES/1.5% Cr composite showed uniform. Corrosion weight loss and thermal expansion behaviour of composite have been also investigated to observe the SAC, CAES and Cr addition effect in the aluminium alloy.
摘要本研究试图利用废氧化铝催化剂(SAC)和碳化蛋壳(CAES)制备AA5052基复合材料。还添加了Cr以进一步提高材料的抗拉强度、硬度和耐腐蚀性。结果表明,在铝合金中添加4.5%的SAC、4.5%的CAES和1.5%的Cr,可显著提高铝合金的抗拉强度、硬度和抗压强度等力学性能。基体材料的抗拉强度、硬度和抗压强度分别提高了11.98%、37.22%和23.06%。然而,复合材料的韧性和延展性都有所降低。Al/4.5%SAC/4.5%CAES/1.5%Cr复合材料的显微组织结果显示出均匀性。还研究了复合材料的腐蚀失重和热膨胀行为,以观察铝合金中的SAC、CAES和Cr添加效应。
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引用次数: 30
Short-process thixoforming of nano-particles reinforced aluminium matrix composites with a high solid fraction 高固相含量纳米颗粒增强铝基复合材料的短工艺触变成形
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2021-01-02 DOI: 10.1080/13640461.2020.1863538
Xiao-Hui Chen, Guiwu Liu, Ping Chen, Lei Liu, Senlin Rao, Yong Hu
ABSTRACT The composite components with complex-shape and containing different nanoparticle contents and sizes were successfully produced by the short-process thixoforming. Based on the developed constitutive model, numerical simulation of thixoforming for the composites with a high solid fraction was carried out, and the relevant experiments were performed. The influences of temperature and forming rate on strain-stress were analysed. Furthermore, the effects of temperature, moving rate of the die and holding time on the filling behaviour were discussed. Results of numerical simulation revealed that at high temperature and high forming rate, uniformly distributed stress-strain field and reduced maximum forming force could be obtained, which is advantageous for avoiding the non-uniform composition and incomplete filling caused by liquid-phase segregation; they were consistent with experimental results. After T6 heat treatment, the average yield strength and ultimate tensile strength of the parts were significantly improved. Moreover, the fracture mechanism of the part was discussed.
摘要采用短工艺触形成形技术,成功制备了形状复杂、纳米颗粒含量和粒径不同的复合材料。基于所建立的本构模型,对高固含量复合材料的触变成形进行了数值模拟,并进行了相关实验。分析了温度和成形速率对应变-应力的影响。讨论了温度、模具移动速度和保温时间对充型性能的影响。数值模拟结果表明:在高温、高成形速率下,可获得均匀分布的应力应变场和减小的最大成形力,有利于避免液相偏析引起的成分不均匀和充型不完全;它们与实验结果一致。经过T6热处理后,零件的平均屈服强度和极限抗拉强度均有显著提高。并对零件的断裂机理进行了探讨。
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引用次数: 1
Improved interface bonding of Mg/aluminized steel bimetallic castings prepared by solid–liquid compound casting process 固液复合铸造工艺改善了Mg/铝钢双金属铸件的界面结合
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2020-12-29 DOI: 10.1080/13640461.2020.1868147
Suo Fan, He-bao Wu
ABSTRACT The effect of pouring temperature on microstructure and bonding properties of the Mg/aluminised steel bimetallic castings prepared by the solid–liquid compound casting process was investigated in this paper in order to improve the interface bonding of the Mg/aluminised steel bimetallic castings. The results show that the Mg/aluminised steel bimetallic castings produced with different pouring temperatures obtained a uniform interface layer that was mainly composed of the Fe2Al5, τ10-Al9Fe4Si3, FeAl3 and Al12Mg17 phases. When the pouring temperature was low, the cracks were formed between the Mg and the interface layer. With increasing pouring temperature, a compact interface bonding was achieved. The bonding properties of the Mg/aluminised steel bimetallic castings increased with increasing pouring temperature. An optimised bonding of the Mg/aluminised steel bimetallic castings was obtained with a pouring temperature of 780°C.
摘要:为了提高Mg/铝钢双金属铸件的界面结合性能,研究了浇注温度对固液复合铸造工艺制备的Mg/铝钢双金属铸件组织和结合性能的影响。结果表明:在不同浇注温度下生产的Mg/铝合金钢双金属铸件得到了均匀的界面层,界面层主要由Fe2Al5、τ10-Al9Fe4Si3、FeAl3和Al12Mg17相组成;当浇注温度较低时,Mg与界面层之间形成裂纹。随着浇注温度的升高,界面结合更加紧密。Mg/铝钢双金属铸件的结合性能随着浇注温度的升高而提高。在780℃的浇注温度下,获得了Mg/铝钢双金属铸件的最佳结合。
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引用次数: 3
Determination of dendrite coherency point characteristics in Al-Si-Mg alloy Al-Si-Mg合金枝晶相干点特性的测定
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2020-12-23 DOI: 10.1080/13640461.2020.1864928
M. Malekan, A. Bahmani
ABSTRACT Dendrite coherency or dendrite impingement is an important factor for determining solidification microstructure and casting defects of alloys. In this research, the effect of various cooling rates and Al-5Ti-1B grain refiner contents on the dendrite coherency point (DCP) characteristics of an Al-Si-Mg alloy designated as A357 has been studied. The results showed that both mentioned parameters have a significant influence on DCP of this alloy. Increasing the cooling rate from 0.15 to 1.0 °C/s and the grain refiner content from 0.0 to 3 wt. % increased the solid fraction in where dendrite coherency occurs. Moreover, enhancement of the cooling rate and grain refiner could increase the difference between the liquidus and coherency temperatures (TN–TDCP), about 27 and 26 °C, respectively. The dendrite coherency time decreased by increasing the cooling rate and increased by increasing the grain refiner content.
枝晶相干性或枝晶冲击是决定合金凝固组织和铸造缺陷的重要因素。本文研究了不同冷却速率和Al-5Ti-1B晶粒细化剂含量对A357铝硅镁合金枝晶相干性点(DCP)特性的影响。结果表明,这两个参数对该合金的DCP都有显著影响。将冷却速率从0.15°C/s增加到1.0°C/s,将晶粒细化剂含量从0.0 wt.%增加到3 wt.%,增加了发生枝晶相干性的固体分数。此外,提高冷却速率和晶粒细化剂可以增加液相线和相干性温度(TN–TDCP)之间的差异,分别约为27和26°C。枝晶相干性时间随冷却速率的增加而减少,随晶粒细化剂含量的增加而增加。
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引用次数: 3
Analysing Gray Cast Iron Data using a New Shapiro-Wilks test for Normality under Indeterminacy 用新的Shapiro-Wilks不确定正态性检验分析灰铸铁数据
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2020-12-19 DOI: 10.1080/13640461.2020.1846959
M. Aslam
ABSTRACT Shapiro–Wilks test is popularly used for testing the normality of the data. Shapiro–Wilks test using the idea of neutrosophic statistics is discussed in this paper. The necessary equations are given under the indeterminacy environment. The testing procedure of the proposed test is given and explained with the help of chemical data. The performance of the proposed Shapiro–Wilks test is discussed with the Shapiro–Wilks test under the classical statistics. From the comparison, it is concluded that the proposed Shapiro–Wilks test is affective to apply when the data are obtained under uncertain environment.
摘要Shapiro–Wilks检验常用于检验数据的正态性。本文讨论了利用中性粒细胞统计学思想进行的Shapiro-Wilks检验。给出了不确定性环境下的必要方程。给出了该试验的试验程序,并结合化学数据进行了说明。将所提出的Shapiro-Wilks检验与经典统计学下的Shapiro-Vilks检验的性能进行了讨论。从比较中可以得出结论,当数据是在不确定的环境下获得时,所提出的Shapiro–Wilks检验是有效的。
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引用次数: 6
New insight of Ca element refining grain structure in commercial purity Mg based on the first-principle calculation 基于第一性原理计算对商品纯镁中Ca元素细化晶粒结构的新认识
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2020-12-16 DOI: 10.1080/13640461.2020.1861856
G. Peng, Y. Gu, G. Song, Y. Wang, Songyi Chen
ABSTRACT The first-principle calculation was used to understand new insight of Ca element refining grain structure in commercial purity Mg. Negative adsorption energy, strong ionic bond and negative shift of partial density of states verify that Ca element is readily adsorbed on the surface of MgO. Combined with analysis of interfacial bonding between Mg2Ca and α-Mg, new insight of Mg2Ca layer formed via Ca adsorption efficiently nucleating α-Mg was proposed. Adsorption of other alkaline earth elements (Be, Sr or Ba) and the crystallographic feature of Be, Mg17Sr2 and Mg17Ba2 along with the experimental results further consolidate new insight of Ca element refining grain structure in commercial purity Mg.
摘要利用第一性原理计算,对工业纯Mg中Ca元素细化晶粒结构的新见解进行了理解。负吸附能、强离子键和部分态密度的负移证实了Ca元素容易吸附在MgO表面。结合对Mg2Ca与α-Mg界面结合的分析,提出了通过Ca吸附形成Mg2Ca层使α-Mg有效成核的新见解。其他碱土元素(Be、Sr或Ba)的吸附以及Be、Mg17Sr2和Mg17Ba2的晶体学特征以及实验结果进一步巩固了Ca元素在商业纯Mg中细化晶粒结构的新见解。
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引用次数: 1
Role of Cerium on the creep properties of the Mg-Sn-Al based alloys 铈对Mg-Sn-Al基合金蠕变性能的影响
IF 1.4 4区 材料科学 Q3 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2020-11-01 DOI: 10.1080/13640461.2020.1853929
Aslı Önür, Gülşah Germen Tutaş, Hüseyin Şevik
ABSTRACT In the present study, the effect of Ce alloying element with different quantities (1 and 2 wt.%) on the microstructure and mechanical properties of Mg-5Sn-2Al alloy was investigated. Phase analyses and microstructural studies were carried out using XRD and SEM. It was observed that base alloy was composed of the α-Mg and Mg2Sn intermetallic phase, and after Ce addition Ce5Sn4 intermetallic phase was formed. Also, an increase was detected on the microhardness of the base alloy with increasing Ce addition. The test results showed that Ce addition has no notable effect on the tensile properties at room temperature but has a positive effect at elevated temperatures. Furthermore, creep properties of the Mg-5Sn-2Al alloy were obviously improved by adding Ce. The values of stress exponents and activation energy indicated that the dominant creep mechanisms of the alloys were identified dislocation climb controlled creep..
摘要研究了不同添加量(1和2wt%)的Ce合金元素对Mg-5Sn-2Al合金组织和力学性能的影响。用XRD和SEM进行了相分析和微观结构研究,发现基体合金由α-Mg和Mg2Sn金属间相组成,添加Ce后形成Ce5Sn4金属间相。此外,随着Ce添加量的增加,基体合金的显微硬度也有所增加。试验结果表明,Ce的添加对室温拉伸性能没有显著影响,但对高温拉伸性能有积极影响。Ce的加入明显改善了Mg-5Sn-2Al合金的蠕变性能。应力指数和活化能值表明,合金的主要蠕变机制为位错爬控蠕变。。
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引用次数: 1
期刊
International Journal of Cast Metals Research
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