{"title":"Pyrimidine derivative as eco-friendly corrosion inhibitor for nickel−aluminum bronze in seawater","authors":"Jin-yu PI, Qi WANG, Chao-yang FU","doi":"10.1016/S1003-6326(24)66675-6","DOIUrl":"10.1016/S1003-6326(24)66675-6","url":null,"abstract":"<div><div>A pyrimidine derivative, 6-phenyl-2-thiouracil (PT), was synthesized for developing a corrosion inhibitor (CI) applied in the protection of the nickel−aluminum bronze (NAB) in seawater. The anti-corrosion effect of PT was evaluated by the mass loss experiment, electrochemical tests and surface analysis. The results show that PT exhibits excellent inhibition performance and the maximum inhibition efficiency of PT reaches 99.6%. The interaction mechanism was investigated through X-ray photoelectron spectroscopy (XPS) and molecule dynamics simulation based on the density functional theory (DFT). The S—Cu, Al—N and Cu—N bonds are formed by the chemical interactions, leading to the adsorption of PT on the NAB surface. The diffusion of corrosive species is hindered considerably by the protective PT film with composition of (PT—Cu)<sub>ads</sub> and (PT—Al)<sub>ads</sub> on the PT/NAB interface. The degree of suppression is increased with the addition of more PT molecules.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"35 1","pages":"Pages 207-224"},"PeriodicalIF":4.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143160594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sui XIE , Qin-meng WANG , Xue-yi GUO , Chun-fa LIAO , Bao-jun ZHAO
{"title":"Phase equilibria of slag systems “FeO”−SiO2−CaO−Al2O3 and “FeO” −SiO2−CaO−MgO at 1200 °C and p(O2) of 10−7 kPa","authors":"Sui XIE , Qin-meng WANG , Xue-yi GUO , Chun-fa LIAO , Bao-jun ZHAO","doi":"10.1016/S1003-6326(24)66683-5","DOIUrl":"10.1016/S1003-6326(24)66683-5","url":null,"abstract":"<div><div>High-temperature experiments were carried out for the slag systems of “FeO”−SiO<sub>2</sub>−CaO−Al<sub>2</sub>O<sub>3</sub> and “FeO”−SiO<sub>2</sub>−CaO−MgO at 1200 °C and <em>p</em>(O<sub>2</sub>) of 10<sup>−7</sup> kPa. The equilibrated samples were quenched, and the phase compositions were measured by electron probe microanalysis (EPMA). A series of pseudo-ternary and pseudo-binary phase diagrams are constructed to demonstrate their applications in copper smelting process and evaluation of the thermodynamic database. Spinel and tridymite are identified to be the major primary phases in the composition range related to the copper smelting slags. It is found that the operating window of the smelting slag is primarily determined by <em>w</em><sub>Fe</sub>/<em>w</em><sub>SiO2</sub> ratio in the slag. Both MgO and Al<sub>2</sub>O<sub>3</sub> in the slag reduce the operating window which requires extra fluxing agent to keep the slag to be fully liquid. Complex spinel solid solutions cause inaccurate predictions of the current thermodynamic database.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"35 1","pages":"Pages 338-348"},"PeriodicalIF":4.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143160599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xiong SHUAI , Hong MAO , Sai TANG , Yi KONG , Yong DU
{"title":"Atomic-scale insights into microscopic mechanisms of grain boundary segregation in Al−Cu alloys","authors":"Xiong SHUAI , Hong MAO , Sai TANG , Yi KONG , Yong DU","doi":"10.1016/S1003-6326(24)66661-6","DOIUrl":"10.1016/S1003-6326(24)66661-6","url":null,"abstract":"<div><div>This study aims to clarify the mechanisms for the grain boundary (GB) segregation through investigating the absorption of excess solute atoms at GBs in Al−Cu alloys by using the hybrid molecular dynamics/Monte Carlo simulations. Two segregation mechanisms, substitutional and interstitial mechanisms, are observed. The intergranular defects, including dislocations, steps and vacancies, and the intervals in structural units are conductive to the prevalence of interstitial mechanism. And substitutional mechanism is favored by the highly ordered twin GBs. Furthermore, the two mechanisms affect the GB structure differently. It is quantified that interstitial mechanism is less destructive to GB structure than substitutional one, and often leads to a segregation level being up to about 6 times higher than the latter. These findings contribute to atomic scale insights into the microscopic mechanisms about how solute atoms are absorbed by GB structures, and clarify the correlation among intergranular structures, segregation mechanisms and kinetics.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"35 1","pages":"Pages 1-12"},"PeriodicalIF":4.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143161173","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Predictor−corrector inverse design scheme for property−composition prediction of amorphous alloys","authors":"Tao LONG , Zhi-lin LONG , Bo PANG","doi":"10.1016/S1003-6326(24)66672-0","DOIUrl":"10.1016/S1003-6326(24)66672-0","url":null,"abstract":"<div><div>In order to develop a generic framework capable of designing novel amorphous alloys with selected target properties, a predictor−corrector inverse design scheme (PCIDS) consisting of a predictor module and a corrector module was presented. A high-precision forward prediction model based on deep neural networks was developed to implement these two parts. Of utmost importance, domain knowledge-guided inverse design networks (DKIDNs) and regular inverse design networks (RIDNs) were also developed. The forward prediction model possesses a coefficient of determination (<em>R</em><sup>2</sup>) of 0.990 for the shear modulus and 0.986 for the bulk modulus on the testing set. Furthermore, the DKIDNs model exhibits superior performance compared to the RIDNs model. It is finally demonstrated that PCIDS can efficiently predict amorphous alloy compositions with the required target properties.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"35 1","pages":"Pages 169-183"},"PeriodicalIF":4.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143160591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Influence of Al, Cu and Mn additions on diffusion behaviors in CoCrFeNi high-entropy alloys","authors":"Juan CHEN , Zhen-zhong ZHANG , Jin-kun XIAO , Li-jun ZHANG","doi":"10.1016/S1003-6326(24)66673-2","DOIUrl":"10.1016/S1003-6326(24)66673-2","url":null,"abstract":"<div><div>The interdiffusion coefficients in Al<sub>0.2</sub>CoCrFeNi, CoCrCu<sub>0.2</sub>FeNi, and CoCrFeMn<sub>0.2</sub>Ni high-entropy alloys were efficiently determined by combining diffusion couple experiments and high-throughput determination of interdiffusion coefficients (HitDIC) software at 1273−1373 K. The results show that the addition of Al, Cu, and Mn to CoCrFeNi high-entropy alloys promotes the diffusion of Co, Cr, and Fe atoms. The comparison of tracer diffusion coefficients indicates that there is no sluggish diffusion in tracer diffusion on the thermodynamic temperature scale for the present Al<sub>0.2</sub>CoCrFeNi, CoCrCu<sub>0.2</sub>FeNi, and CoCrFeMn<sub>0.2</sub>Ni high-entropy alloys. The linear relationship between diffusion entropy and activation energy reveals that the diffusion process of atoms is unaffected by an increase in the number of components as long as the crystal structure remains unchanged.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"35 1","pages":"Pages 184-193"},"PeriodicalIF":4.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143160592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xin-pei ZHANG , Jun-jie HE , Lin PI , Quan FU , Wen-yan ZHOU , Jun CHENG , Sheng-wen BAI , Xuan ZHOU , Yi LIU , Yong MAO
{"title":"Flow behavior and dynamic softening mechanism of Pt−10Ir precious alloy","authors":"Xin-pei ZHANG , Jun-jie HE , Lin PI , Quan FU , Wen-yan ZHOU , Jun CHENG , Sheng-wen BAI , Xuan ZHOU , Yi LIU , Yong MAO","doi":"10.1016/S1003-6326(24)66676-8","DOIUrl":"10.1016/S1003-6326(24)66676-8","url":null,"abstract":"<div><div>The hot deformation behavior of Pt−10Ir alloy was studied under a wide range of deformation parameters. At a low deformation temperature (950−1150 °C), the softening mechanism is primarily dynamic recovery. In addition, dynamic recrystallization by progressive lattice rotation near grain boundaries (DRX by LRGBs) and microshear bands assisted dynamic recrystallization (MSBs assisted DRX) coordinate the deformation. However, it is difficult for the dynamic softening to offset the stain hardening due to a limited amount of DRXed grains. At a high deformation temperature (1250−1350 °C), three main DRX mechanisms associated with strain rates occur: DRX by LRGBs, DRX by a homogeneous increase in misorientation (HIM) and geometric DRX (GDRX). With increasing strain, DRX by LRGBs is enhanced gradually under high strain rates; the “pinch-off” effect is enhanced at low strain rates, which was conducive to the formation of a uniform and fine microstructure.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"35 1","pages":"Pages 225-242"},"PeriodicalIF":4.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143160595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhen-biao LI, Zhi-mei XIA, Shu-fen LIU, Long-gang YE, Jing-hao QI, Xiong-mei LI
{"title":"Recovery of zinc and lead by simultaneously leaching from lead slag fuming dust with ammonium chloride solution","authors":"Zhen-biao LI, Zhi-mei XIA, Shu-fen LIU, Long-gang YE, Jing-hao QI, Xiong-mei LI","doi":"10.1016/S1003-6326(24)66659-8","DOIUrl":"10.1016/S1003-6326(24)66659-8","url":null,"abstract":"<div><div>The effects of leaching temperature (60−105 °C), NH<sub>4</sub>Cl concentration (3−7 mol/L), liquid/solid ratio (4:1−12:1 mL/g), stirring speed (150−750 r/min), and leaching time (5−90 min) on the leaching rates of Zn and Pb were investigated. The leaching kinetics of Zn- and Pb-rich fuming dust with a NH<sub>4</sub>Cl solution was also studied. The leaching rates of Zn and Pb respectively reached 98.2% and 75.6% at leaching temperature of 100 °C, an NH<sub>4</sub>Cl concentration of 7.0 mol/L, a liquid/solid ratio of 10:1 mL/g, a stirring speed of 450 r/min and leaching time of 60 min. The kinetics results indicate that the leaching of Zn and Pb conforms to the shrinking unreacted core model and is controlled by the internal diffusion of NH<sub>4</sub>Cl through the reacted fuming dust layer and external diffusion of NH<sub>4</sub>Cl through the leaching solution boundary layer, respectively. The apparent activation energies of Zn and Pb are 23.922 and 19.139 kJ/mol, respectively. This study demonstrates that the use of NH<sub>4</sub>Cl solution, without ammonia, is an environmentally friendly method for simultaneous extracting Zn and Pb from the fuming dust of lead blast furnace slag.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"34 12","pages":"Pages 4075-4084"},"PeriodicalIF":4.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143200740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Influence of tartrate on leaching interface of low-grade polymetallic complex chalcopyrite ore","authors":"Xin-Jie LIU, Ya-long LIAO, Qing-feng LIU, Min WU","doi":"10.1016/S1003-6326(24)66657-4","DOIUrl":"10.1016/S1003-6326(24)66657-4","url":null,"abstract":"<div><div>The leaching of Cu from low-grade polymetallic complex chalcopyrite ore (LPCCO) in acidic ferric electrolyte was increased by adding tartrate. To explain the reason resulting in this phenomenon, a systematical study about the effects of tartrate on the interfaces where reactions occurred was conducted by using electrochemical methods. The Mott−Schottky experiment results showed that whether tartrate was added or not, the initial n-type LPCCO surface transformed to the surface with a p−n junction that seriously hindered charge transfer. After adding tartrate, a shorter Debye length and higher charge carrier density were obtained, which were related to the decrease in intergranular energy barrier height by tartrate's bridging semiconductor particles. Additionally, EIS results combined with Tafel and LSV analysis revealed thin passive film and double-layer, large diffusion coefficient, and low apparent activation energy. These favorable changes in interface properties facilitated the LPCCO dissolution.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"34 12","pages":"Pages 4049-4062"},"PeriodicalIF":4.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143200741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ying DENG , Yi LAI , Jia-shun CHEN , Yuan-hao XU , Jun-chang CAO , Rui-yin HUANG , Jia-qi DUAN
{"title":"Effects of solute supersaturation and re-precipitation on microstructure and mechanical properties of selective laser melted Al−Mn−Mg−Sc−Zr alloys","authors":"Ying DENG , Yi LAI , Jia-shun CHEN , Yuan-hao XU , Jun-chang CAO , Rui-yin HUANG , Jia-qi DUAN","doi":"10.1016/S1003-6326(24)66643-4","DOIUrl":"10.1016/S1003-6326(24)66643-4","url":null,"abstract":"<div><div>A new Al−4.87Mn−1.42Mg−0.63Sc−0.20Zr (wt.%) alloy was fabricated by selective laser melting (SLM) and its microstructure and mechanical properties before and after aging were investigated. The results show that at a laser power input of 300 W, increasing laser scanning speeds from 700 to 1500 mm/s improves the mechanical properties. In the meantime, the lattice distortion values increase from 0.15% to 0.31%, showing an increasing solute supersaturation. At a laser scanning speed of 1500 mm/s, the yield strength, ultimate tensile strength and elongation of the as-SLM alloys are 356 MPa, 412 MPa and 17.7%, respectively. After aging at 350 °C for 8 h, these values increase to 527 MPa, 554 MPa and 10.4%, respectively. The contributions to the yield strength increments from the secondary Al<sub>6</sub>(Fe, Mn) needle-like phase and re-precipitated L1<sub>2</sub> structured Al<sub>6</sub>(Sc, Zr, Ti) nano-particles during aging are 74 and 79 MPa, respectively. As the aging temperature increases to 450 °C, the dominant precipitation strengthening is attributed to the secondary Al<sub>6</sub>(Sc, Zr, Ti) nano-particles.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"34 12","pages":"Pages 3846-3861"},"PeriodicalIF":4.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143200889","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hong-qi SHI , Xiao-di JI , Dong-hui JIAN , Tian-shuo XU , Chen WANG , Tao TANG , Wen-juan LIU , Zhen-hua CAO
{"title":"Effect of Mo substitution of Fe on strength and corrosion resistance of AlCoCrFe1−xNiMox high-entropy alloys","authors":"Hong-qi SHI , Xiao-di JI , Dong-hui JIAN , Tian-shuo XU , Chen WANG , Tao TANG , Wen-juan LIU , Zhen-hua CAO","doi":"10.1016/S1003-6326(24)66650-1","DOIUrl":"10.1016/S1003-6326(24)66650-1","url":null,"abstract":"<div><div>A series of AlCoCrFe<sub>1−<em>x</em></sub>NiMo<sub><em>x</em></sub> high-entropy alloys (HEAs) were fabricated and characterized by XRD, SEM, EDS mapping, compression test, hardness and electrochemistry measurements. The research results indicate that after Mo completely replaces Fe, the compressive strength of the alloys can reach 3181 MPa because the addition of Mo can form <em>σ</em> phase beneficial to the grain refinement, thereby improving the strength of the alloys. However, the addition of Mo has a detrimental effect on corrosion resistance as a result of formation of galvanic cell between the substrate and <em>σ</em> phases. Although most of AlCoCrFe<sub>1−<em>x</em></sub>NiMo<sub><em>x</em></sub> have lower corrosion current densities than pristine alloy, a partial Mo substitution (<em>x</em>=0.25) widens the passivation region of HEAs. The inconsistency of mechanical properties with corrosion resistance is ascribed to different roles of Mo in phase formation and protection of passive film.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"34 12","pages":"Pages 3949-3962"},"PeriodicalIF":4.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143200675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}