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The influence of austenitization time and temperature on the austenite grain growth in high Ti-V HSLA steels 奥氏体化时间和温度对高Ti-V HSLA钢中奥氏体晶粒长大的影响
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.28
Srj Rezaei, CW Siyayisa, Z. Tang, J. Moema
Generally, in high titanium-containing high strength low alloy (HSLA) steels, the challenge is to ensure that an adequate amount of Ti dissolves during soaking for precipitate strengthening during cooling or hot working. Therefore, this work focused on the effect of soaking time and temperature on the austenite grain growth kinetics of HSLA steels, of the three alloys containing 0.1 %Ti, and 0 to 0.12 %V. The samples were austenitized at 1150 and 1280 °C for 1, 2 and 3 hrs and quenched in a 10% NaCl brine. Thereafter, the samples were tempered at 490 °C for 72 hrs in order to reveal the prior austenite grain boundaries. The grain size was analysed by the linear intercept method. The precipitation behaviour was predicted by Thermo-Calc software and confirmed by SEM-EDS. At 1150 °C austenitizing temperature, all three steel grades exhibited the Ti (C, N) (Type 1), (Mn-Ti) (C, S) (Type 2), MnS (Type 3 (Ti4C2S2) (Type 4) and TiC (Type 5) precipitates. After escalating the temperature to 1280 °C, only the TiC dissolved. Type 4 and 5 precipitates were the finest and possibly responsible for the grain size refinement. Consequently, alloy 1 with the highest S content of 140 ppm exhibited the finest grain size at both temperatures.
通常,在高含钛的高强度低合金(HSLA)钢中,挑战在于确保在冷却或热加工过程中有足够数量的Ti在浸泡过程中溶解,以进行沉淀强化。因此,本文主要研究了浸泡时间和温度对含0.1% Ti和0 ~ 0.12% V的三种合金HSLA钢奥氏体晶粒生长动力学的影响。样品分别在1150和1280℃下奥氏体化1、2和3小时,然后在10% NaCl盐水中淬火。然后,将样品在490℃下回火72小时,以显示先前的奥氏体晶界。采用线性截距法对晶粒度进行分析。用热-钙软件预测了其析出行为,并用SEM-EDS进行了验证。在1150℃奥氏体化温度下,三种钢种均析出Ti (C, N)(1型)、(Mn-Ti) (C, S)(2型)、MnS(3型(Ti4C2S2)(4型)和TiC(5型)相。当温度升高到1280℃时,只有TiC溶解。4型和5型沉淀最细,可能是晶粒细化的原因。结果表明,在两种温度下,S含量最高(140 ppm)的合金1的晶粒尺寸最细。
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引用次数: 0
Study of one-step and two-step quench and partition heat treatments on a medium carbon high silicon alloy using dilatometry 用膨胀法研究中碳高硅合金的一步和两步淬火和分区热处理
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.20
V. Kurup, CW Siyayisa, R. Mostert, J. Moema
This study evaluated the microstructural evolution in a medium carbon high silicon steel during one-step, and two-step quench and partition (Q&P) processes using dilatometry experiments. The two-step Q&P process was carried out using different quench temperatures ranging from 180 to 260 °C. In the one-step process, Q&P heat treatment samples were held isothermally for ten minutes after quenching at specified temperatures ranging between 200 and 4°50 C. The two-step Q&P process yielded a higher fraction of retained austenite than a one-step Q&P process. During the isothermal hold step, the volume expansion due to carbon partitioning and austenite decomposition behavior was interpreted by experimentally determined strain values. For the one-step Q&P process, the austenite decomposition kinetics above and below the Ms temperature differed, as evidenced by the JMAK parameters. The TTT diagram generated for the one-step Q & P process showed a “swing back” at a temperature of around 355 °C.
本研究利用膨胀法实验评价了中碳高硅钢在一步淬火和两步淬火配分(Q&P)过程中的组织演变。采用180 ~ 260℃不同的淬火温度进行两步Q&P工艺。在一步法中,Q&P热处理样品在200至4°50℃的指定温度下淬火后等温保温10分钟。两步Q&P工艺比一步法产生更高比例的残余奥氏体。在等温保温阶段,由碳分配和奥氏体分解行为引起的体积膨胀可以通过实验确定的应变值来解释。对于一步Q&P工艺,在Ms温度上下的奥氏体分解动力学存在差异,JMAK参数证明了这一点。为一步Q & P工艺生成的TTT图显示在大约355°C的温度下“回摆”。
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引用次数: 0
Use of first principles and Thermo-Calc to identify potential low elastic modulus titanium-based alloys for biomedical applications 使用第一性原理和热钙识别潜在的低弹性模量钛基合金用于生物医学应用
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.42
MN Madigoe, R. Modiba, L. Cornish
High alloyed β-phase stabilised titanium alloys are known to have low elastic moduli comparable to that of the human bone (≈30 GPa). The β-phase in titanium alloys exhibits an elastic modulus of about 60-80 GPa, which is nearly half that of α-phase (100-120 GPa). In this work, an attempt to develop a β-phase titanium-based alloy through first-principles calculations and Thermo-Calc calculations for biomedical applications was conducted. First-principles calculations were performed using the CASTEP code on a simple 2-atom bcc unit cell to predict the theoretical elastic modulus and mechanical stability of the Ti-Nb-Ta-Zr (TNTZ) system at 0 K. Thermo-Calc was used to determine the phase proportion diagrams of the proposed alloys at 500℃. The alloy comprised Ti-Nbx-Ta25-Zr5 (x = 5, 10, 20, 30, 40) (at.%). The theoretical results suggested that increasing niobium content introduced both mechanical (cʹ > 0) stability of the alloys. Alloy Ti-Nb5-Ta25-Zr5 gave the lowest elastic modulus of 55.23 ± 24.45 GPa which is half the elastic modulus of pure titanium (α phase). The phase proportion diagrams showed that up to 58.6 mol.% of β phase was retained at 20 at.% Nb, although the Voigt-Reuss-Hill Young’s modulus calculated from first principles increased with increasing niobium content while the α/β phase transformation temperature decreased down to 551.3℃ at 40 at.% Nb.
已知高合金β相稳定钛合金具有与人骨相当的低弹性模量(≈30 GPa)。钛合金中β相的弹性模量约为60 ~ 80 GPa,是α相(100 ~ 120 GPa)的近一半。在这项工作中,尝试通过第一性原理计算和热钙计算来开发用于生物医学应用的β相钛基合金。利用CASTEP程序在一个简单的2原子bcc单元电池上进行第一性原理计算,预测了Ti-Nb-Ta-Zr (TNTZ)体系在0 K时的理论弹性模量和力学稳定性。采用热钙法测定了合金在500℃时的相比图。合金成分为Ti-Nbx-Ta25-Zr5 (x = 5,10,20,30,40) (at.%)。理论结果表明,铌含量的增加提高了合金的力学稳定性(c′> 0)。Ti-Nb5-Ta25-Zr5合金的弹性模量最低,为55.23±24.45 GPa,是纯钛(α相)弹性模量的一半。相比图显示,在20 at时,β相的保留率高达58.6 mol.%。虽然根据第一原理计算的Voigt-Reuss-Hill杨氏模量随着铌含量的增加而增加,但在40℃时α/β相变温度降至551.3℃。% Nb。
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引用次数: 0
Investigating the electronic and magnetic properties of Dy, Y and La by site substitution on Nd2Fe14B permanent magnet employing the first-principle approach 用第一性原理法研究了Nd2Fe14B永磁体上Dy、Y和La的电子和磁性能
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.41
LE Miya, Methias Sithole, R. Modiba
The development of new Nd-Fe-B permanent magnets continues to be a pressing matter for the transition to a green economy. Permanent magnets have become significant in applications of highly efficient energy conversion machines and devices. First-principles calculations have been performed by using the density function theory (DFT) within the generalized gradient approximation (GGA) to study the Nd2Fe14B magnets. The effects of Dy/La/Y on the electronic and magnetic properties of Nd2Fe14B permanent magnet with the site substitution mechanism were studied. The spin and the orbital magnetic moments of the Nd, Dy, Y, and La ion were found to be opposite to each other, which is in agreement with Hund’s rule. Moreover, the total orbital magnetic moment was found to be larger than that of the total spin magnetic moment. Y prefers the 4f site, while La on the other hand prefers the 4g site. The total magnetic moment of the Nd2Fe14B was in close agreement with the previous reported experimental value.
新型钕铁硼永磁体的开发仍然是向绿色经济过渡的紧迫问题。永磁体在高效能量转换机器和装置的应用中具有重要意义。利用广义梯度近似(GGA)中的密度泛函理论(DFT)对Nd2Fe14B磁体进行了第一性原理计算。研究了Dy/La/Y对Nd2Fe14B永磁体电子性能和磁性能的影响。Nd、Dy、Y和La离子的自旋和轨道磁矩是相反的,这与洪德规则是一致的。此外,发现总轨道磁矩大于总自旋磁矩。Y更喜欢4f站点,而La更喜欢4g站点。Nd2Fe14B的总磁矩与先前报道的实验值基本一致。
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引用次数: 0
Use of attenuated total reflectance fourier transform infrared spectroscopy as a tool to determine effect of hot air-drying on yield (%) of chitin from crab integument 用衰减全反射傅里叶变换红外光谱法测定了热风干燥对蟹皮中甲壳素得率的影响
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.31
T. Khumalo, AV Rane, MT Pandurangan, K. Kanny
Washing, hot air drying, mechanical grinding, and chemical treatments are used to extract chitin from the integument of crustaceans (crabs). Variable drying times are documented in the literature, but none of the publications correlate drying time to the percent yield of chitin from crab integument, therefore this investigation. The effects of hot air-drying duration on the percent yield of chitin from Ocypode Ryderi (Pink Ghost Crab) (found along the east coast of South Africa) are investigated in this study. The impact of hot air drying on intermolecular changes inside the crab integument was investigated. Using an Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR Spectroscopy), the intermolecular interactions occurring within the crab integument with respect to hot air-drying period were observed. To cover a study gap, crab integument was dried at 0h, 1h, 2h, 3h, 4h, 5h, 6h, 7h, 8h, 9h,10h,11h, and 12h and extracted chitin at 0h, 1h, 2h, 3h, 4h, 5h, 6h, 7h, 8h, 9h, 10h, 11h, and 12h. The highest chitin output was found after 12 hours of hot air drying.
从甲壳类动物(螃蟹)的外壳中提取甲壳素的方法有清洗、热风干燥、机械研磨和化学处理。在文献中记录了不同的干燥时间,但没有一篇出版物将干燥时间与螃蟹被皮中甲壳素的百分比产率联系起来,因此本研究。本文研究了热风干燥时间对南非东海岸粉鬼蟹(Ocypode Ryderi)几丁质百分比产率的影响。研究了热风干燥对螃蟹被膜内部分子间变化的影响。利用衰减全反射傅立叶变换红外光谱(ATR-FTIR),观察了热风干时间对螃蟹被膜内分子间相互作用的影响。为了填补研究空白,在0h、1h、2h、3h、4h、5h、6h、7h、8h、9h、10h、11h、12h干燥蟹皮,并在0h、1h、2h、3h、4h、5h、6h、7h、8h、9h、10h、11h、12h提取甲壳素。热风干燥12小时后甲壳素产量最高。
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引用次数: 0
Development of ATO as an alternative catalyst support for PEM fuel cells ATO作为PEM燃料电池替代催化剂的研究进展
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.47
M. Mkhabela, T. Ngwenya
Proton exchange membrane (PEM) fuel cells demonstrated to be feasible energy converters that convert chemical energy of fuels to electrical energy. The technology has proven to be competitive with conventional energy converters such as batteries and internal combustion engines. However; several challenges influence the commercialization of this technology which includes high costs, durability, and stability, which are contributed by the PEM fuel cell catalysts. Currently, the carbon-supported platinum electro-catalyst is being used. Unfortunately, carbon supports are not stable enough for fuel cell durability due to carbon corrosion on the cathode. Therefore it is necessary to replace carbon support materials to improve the durability of PEM fuel cells. In this study, antimony doped tin oxide (ATO) metal oxides are synthesized as alternative platinum catalyst support via co-precipitation with different antimony doping levels of 5, 7, and 10 %. The preliminary results of the acid resistance test show that the support is relatively acid-resistant with minor loss of dopant in acidic conditions. Surface area measurements, XRD, TEM, ICP characterization will be performed on the ATO before and after the addition of 40 wt. % of Pt particles. The mass and specific activity measurements for oxygen reduction reaction (ORR) and durability via ex-situ thin-fil rotating disc electrode (RDE) of Pt/ATO catalyst and the traditionally used Pt/C catalyst will be compared.
质子交换膜(PEM)燃料电池被证明是一种可行的能量转换器,可以将燃料的化学能转化为电能。该技术已被证明与传统的能量转换器(如电池和内燃机)具有竞争力。然而;PEM燃料电池催化剂带来的高成本、耐用性和稳定性等问题影响了该技术的商业化。目前,碳负载铂电催化剂被广泛使用。不幸的是,由于阴极上的碳腐蚀,碳支撑对于燃料电池的耐久性来说不够稳定。因此,为了提高PEM燃料电池的耐久性,有必要更换碳支撑材料。在本研究中,通过共沉淀法合成了掺杂锑的氧化锡(ATO)金属氧化物作为替代铂催化剂载体,其锑掺杂水平分别为5,7和10%。初步的耐酸试验结果表明,该载体在酸性条件下具有较好的耐酸性能,掺杂剂损失较小。在加入40 wt. % Pt颗粒前后,将对ATO进行表面积测量、XRD、TEM、ICP表征。比较了Pt/ATO催化剂和传统Pt/C催化剂在非原位薄膜旋转圆盘电极(RDE)上的氧还原反应(ORR)质量、比活度和耐久性。
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引用次数: 0
Adsorption-desorption of F2 diatomic molecule on Ti (100) surface at different coverages 不同覆盖率下F2双原子分子在Ti(100)表面的吸附-解吸
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.38
D. Tshwane, R. Modiba, G. Govender, P. Ngoepe, H. Chauke
Fluorine molecules and ions are used as an etchant for metal surface processing. The presence of fluorine significantly influences the electrochemical behaviour on a metal surface, which has major relevance for etching, corrosion, electro-catalysis and galvanic deposition processes. Although the fluorine ions play an important role in metal surface etching, the studies remain limited and unclear, especially at the atomistic scale. In this work, density functional theory is used to investigate the structural and electronic properties of F2 diatomic molecule adsorption on Ti (100) surface at different coverages. Results revealed a dissociative adsorption mechanism of F2 on the Ti (100) surface. Adsorption energy analysis of F2 on Ti (100) surface denotes an exothermic process. Moreover, increasing F2 coverage resulted in the formation of TiF4 and Ti2F6 molecules on the surface. In addition, the calculated heat of formation for TiF4 was found to be more favourable than Ti2F6 species. Calculated desorption energies for TiF4 and Ti2F6 is 11.73 eV/atom and 9.04 eV/atom, suggesting non-spontaneous.
氟分子和离子用作金属表面加工的蚀刻剂。氟的存在显著影响金属表面的电化学行为,这对蚀刻、腐蚀、电催化和电沉积过程具有重要意义。虽然氟离子在金属表面蚀刻中起着重要的作用,但研究仍然有限和不清楚,特别是在原子尺度上。本文利用密度泛函理论研究了F2双原子分子在不同覆盖度的Ti(100)表面吸附的结构和电子性质。结果揭示了F2在Ti(100)表面的解离吸附机制。F2在Ti(100)表面的吸附能分析表明是一个放热过程。此外,增加F2覆盖导致表面形成TiF4和Ti2F6分子。此外,TiF4的生成热计算结果比Ti2F6更有利。TiF4和Ti2F6的解吸能分别为11.73 eV/原子和9.04 eV/原子,为非自发解吸。
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引用次数: 0
Bio-based polyurethane coating synthesized from modified castor oil - applicable in base coat of automobile paint 以改性蓖麻油为原料合成的生物基聚氨酯涂料,适用于汽车漆底漆
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.24
D. Mohanty, M. Kanny, S. Mohanty, S. Nayak
The current study reports the epoxidation of castor oil (CO) by using hydrogen peroxide as catalyst and formic acid as oxidizing agent. Subsequently bio based polyurethane based base coat was synthesized by using epoxidised castor oil (ECO) as polyol, Isophorone diisocyanate (IPDI) as curing agent and dibutylin dilaurate (DBTDL) as catalyst. The paint formulation with OH:NCO ratio 1:1.2 was optimized. An independent study was carried out employing the mechanical test like cross-cut tape test was carried out to evaluate th paint properties. Morphological and structural studies like FTIR, SEM, HNMR were carried out with the paint formulation. Thermal property studies like TGA, DSC were carried out with the paint. Gloss, weather resistance of the paint was evaluated.
以过氧化氢为催化剂,甲酸为氧化剂,对蓖麻油(CO)进行了环氧化反应。随后以环氧化蓖麻油(ECO)为多元醇,二异氰酸酯异佛酮(IPDI)为固化剂,双酸二丁酯(DBTDL)为催化剂,合成了生物基聚氨酯基底漆。优化了OH:NCO比为1:2 .2的涂料配方。采用横切胶带等力学试验对涂料性能进行了独立研究。对涂料配方进行了FTIR、SEM、HNMR等形态学和结构研究。热性能研究,如TGA, DSC与油漆进行。对涂料的光泽度、耐候性进行了评价。
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引用次数: 0
Effect of Nb glue atom in the cluster formula on the microstructure and mechanical properties of Ti-Mo alloy 团簇配方中Nb胶原子对Ti-Mo合金显微组织和力学性能的影响
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.44
L. Ranganya, N. Moshokoa, B. Obadele, E. Makhatha, R. Machaka
The effect of Nb in the glue site of the cluster-plus-glue atom model formula on the microstructure and mechanical properties of Ti-Mo alloy was investigated. Phase and microstructural analysis were performed by X-ray diffraction and electron backscatter diffraction. Tensile properties were also examined. A small amount of secondary martensitic α” and ωath nano particles were precipitated in the β matrix of both alloys, due to to the inhomogeneous distribution of Mo and/ or Nb caused by segregation, which formed local regions with high- and low-stability of the β phase. The elastic modulus was significantly reduced to 56.9 ± 3.08 GPa, while the elastic admissible strain was substantially improved. The increased β stability and suppression of the ωath phase led to no significant change in both the yield and ultimate tensile strengths, and the brittle fracture behavior. The alloy can be a potential alternative of the conventional orthopedic implant materials in orthopedic applications.
研究了团簇+胶原子模型公式中胶点Nb对Ti-Mo合金显微组织和力学性能的影响。采用x射线衍射和电子背散射衍射进行物相分析和显微结构分析。拉伸性能也进行了测试。由于偏析导致Mo和/或Nb的不均匀分布,在两种合金的β基体中均析出少量的次生马氏体α”和ω纳米颗粒,形成β相高稳定性和低稳定性的局部区域。弹性模量显著降低至56.9±3.08 GPa,弹性容许应变显著提高。β稳定性的提高和ω相的抑制导致屈服强度和极限抗拉强度以及脆性断裂行为没有明显变化。在骨科应用中,该合金可作为传统骨科植入材料的潜在替代品。
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引用次数: 0
Reduction of copper oxide powder by an inductively coupled thermal plasma 电感耦合热等离子体还原氧化铜粉末
Pub Date : 2022-01-24 DOI: 10.36303/satnt.2021cosaami.16
H. Bissett, M. Makhofane, S. Lötter
Additive manufacturing (AM) methods can be utilised to manufacture complex, custom Ti6Al4V components for medical implants. Infection at the bone-implant interface is a key reason for implant rejection. Advanced titanium implants with biocompatibility and antibacterial properties can be manufactured by modifying the titanium alloy with copper, which in small concentrations (< 1 at % copper) is a proven, non-toxic antibacterial agent. Copper can be embedded into the titanium implant during the AM process creating antibacterial functionality. In order to produce sufficiently fine metallic copper powder, copper oxide can be reduced, either by chemical reduction or thermal treatment methods. These include thermal decomposition or reduction of the oxide in the presence of a reactive gas at elevated temperatures. Making use of thermal treatment methods such as thermal plasma reduction, the process conditions can be tuned to manipulate the morphology and average particle size of the powders. The purpose of this study was to investigate the thermal plasma reduction of copper oxide to copper metal making use of the Tek-15 radio-frequency inductively coupled thermal plasma system at Necsa.In the presence of hydrogen, the black copper (II) oxide powder was converted to a dark red powder, while a yellow / orange coloured powder was obtained without hydrogen being present. A change in composition was observed using SEM-EDS and was confirmed by XRD analysis.
增材制造(AM)方法可用于制造用于医疗植入物的复杂定制Ti6Al4V组件。骨-种植体界面感染是引起种植体排斥反应的重要原因。先进的钛植入物具有生物相容性和抗菌性能,可以通过用铜修饰钛合金来制造,铜在低浓度(< 1 at %铜)是一种经过验证的无毒抗菌剂。在增材制造过程中,铜可以嵌入到钛植入物中,从而产生抗菌功能。为了生产足够细的金属铜粉,氧化铜可以通过化学还原或热处理方法进行还原。这些包括热分解或氧化物在高温反应气体存在下的还原。利用热等离子体还原等热处理方法,可以调整工艺条件来控制粉末的形貌和平均粒度。本研究的目的是利用Necsa的Tek-15射频电感耦合热等离子体系统,研究铜氧化物的热等离子体还原为铜金属。在有氢存在的情况下,黑色氧化铜(II)粉末转化为暗红色粉末,而在没有氢存在的情况下,得到黄色/橙色粉末。通过SEM-EDS和XRD分析证实了其成分的变化。
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引用次数: 0
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Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie
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