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}
Zi-xuan WU , Pei-fan ZHANG , Xiao-song JIANG , Hong-liang SUN , Yan-jun LI , Pål CHRISTIAN , Liu YANG
{"title":"Enhanced mechanical and electrical properties of multi-walled carbon nanotubes reinforced Cu/Ti3SiC2/C nanocomposites via high-pressure torsion","authors":"Zi-xuan WU , Pei-fan ZHANG , Xiao-song JIANG , Hong-liang SUN , Yan-jun LI , Pål CHRISTIAN , Liu YANG","doi":"10.1016/S1003-6326(24)66654-9","DOIUrl":"10.1016/S1003-6326(24)66654-9","url":null,"abstract":"<div><div>In order to achieve combined mechanical and electrical properties, multi-walled carbon nanotubes (MWCNTs) reinforced Cu/Ti<sub>3</sub>SiC<sub>2</sub>/C nanocomposites were further processed by high-pressure torsion (HPT). The maximum microhardness values of central and edge from the composites with 1 wt.% MWCNTs reached HV 130.0 and HV 363.5, which were 43.9% and 39.5% higher than those of the original samples, respectively. With the same content of MWCNTs, its electrical conductivity achieved 3.42×10<sup>7</sup> S/m, which was increased by 78.1% compared with that of original samples. The synergistic improvement of mechanical and electrical properties is attributed to the obtained microstructure with increased homogenization and refinement, as well as improved interfacial bonding and reduced porosity. The strengthening mechanisms include dispersion and refinement strengthening for mechanical properties, as well as reduced electron scattering for electrical properties.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"34 12","pages":"Pages 4005-4019"},"PeriodicalIF":4.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143200676","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}
Cheng-jian WEN, Zhi-wei LUO, Xin-yu LIU, Ju-xia TONG, Pan HE, An-xian LU
{"title":"Improvement of crystal structure and electrical performance of NASICON-type NaTi2(PO4)3 solid electrolyte by doping Cr3+ ions","authors":"Cheng-jian WEN, Zhi-wei LUO, Xin-yu LIU, Ju-xia TONG, Pan HE, An-xian LU","doi":"10.1016/S1003-6326(24)66655-0","DOIUrl":"10.1016/S1003-6326(24)66655-0","url":null,"abstract":"<div><div>A series of Cr<sup>3+</sup>-substituted Na<sub>1+<em>x</em></sub>Ti<sub>2−<em>x</em></sub>Cr<sub><em>x</em></sub>P<sub>3</sub>O<sub>12</sub> (<em>x</em>=0.1, 0.2, 0.3, 0.4, 0.5, molar fraction) solid electrolytes were prepared by the solid-phase reaction method. The effects of Cr<sup>3+</sup> ions on the phase composition, microstructure, and electrochemical ion conductivity of Na-based conductors were studied using X-ray powder diffraction, field emission scanning electron microscopy, and AC impedance measurement. The results show that the main crystal phase of NaTi<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> is formed in the solid electrolytes. The substitution of Ti<sup>4+</sup> sites by 15 at.% Cr<sup>3+</sup> ions contributes to the enhancement of electrical conductivity, which is attributed to the combined effect of suppressing the formation of impurity phases, broadening ion channels, and improving the bonding degree of grains. Na<sub>1.3</sub>Ti<sub>1.7</sub>Cr<sub>0.3</sub>P<sub>3</sub>O<sub>12</sub> electrolyte can obtain the best ionic conductivity of 6.13×10<sup>−6</sup> S/cm at room temperature, which is 8 times that of the undoped NaTi<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> electrolyte.</div></div>","PeriodicalId":23191,"journal":{"name":"Transactions of Nonferrous Metals Society of China","volume":"34 12","pages":"Pages 4020-4031"},"PeriodicalIF":4.7,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143200747","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}