Ruixin Li, Xiaoya Bai, Feiyu Qin, Xin Jin, Yuanbin Qin, Xiangdong Ding, Lei Hu
{"title":"Synthesis, crystal structure, and thermoelectric properties of vacancy-doped praseodymium sulfide","authors":"Ruixin Li, Xiaoya Bai, Feiyu Qin, Xin Jin, Yuanbin Qin, Xiangdong Ding, Lei Hu","doi":"10.1111/jace.70171","DOIUrl":"https://doi.org/10.1111/jace.70171","url":null,"abstract":"<p>Thermoelectric materials emerge as a promising avenue for inter-quality energy transformation, specifically harnessing waste heat into electrical energy. Herein, we present a novel rare-earth-based thermoelectric compound, Pr<sub>2</sub>S<sub>3−</sub><i><sub>x</sub></i> (<i>x</i> = 0.04, 0.06, and 0.08). The joint analysis of X-ray diffraction and X-ray absorption fine structure spectra (XAFS) is performed on the crystallographic structure and to decipher the coordination environment of the nearest neighboring Pr–S atomic pairs. Furthermore, multiple scattering ascertains the three main features of the Pr <i>L<sub>3</sub></i>-edge XAFS in Pr<sub>2</sub>S<sub>3</sub>. The electrical conductivity and Seebeck coefficient of Pr<sub>2</sub>S<sub>3−</sub><i><sub>x</sub></i> could be adjusted by changing the anion vacancy. A reasonable peak power factor of 2.49 µW/cm/K<sup>2</sup> is achieved at 623 K for Pr<sub>2</sub>S<sub>3−</sub><i><sub>x</sub></i> (<i>x</i> = 0.04). Band structure calculations reveal the Γ point of the Brillouin zone in the conduction band region, featuring a single dispersive band. Meanwhile, the valence band exhibits the convergence of multiple bands, implying that it has greater potential in p-type TE semiconductors. Additionally, the mechanical properties of Pr<sub>2</sub>S<sub>3−</sub><i><sub>x</sub></i> were investigated by the hardness testing and sound velocity measurement. This comprehensive study on the Pr<sub>2</sub>S<sub>3−</sub><i><sub>x</sub></i> material system represents a significant step forward in expediting the development of innovative thermoelectric materials.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effect of TiO2 addition on the dissolution of MgO·Al2O3 inclusions in TiO2-bearing ladle slags","authors":"Guangyu Hao, Zhiyin Deng, Miaoyong Zhu","doi":"10.1111/jace.70182","DOIUrl":"https://doi.org/10.1111/jace.70182","url":null,"abstract":"<p>In order to clarify the removal behaviors of inclusions, the dissolution of MgO·Al<sub>2</sub>O<sub>3</sub> inclusions in CaO–SiO<sub>2</sub>–MgO–Al<sub>2</sub>O<sub>3</sub>–(0–10%)TiO<sub>2</sub> slags was observed in situ at 1450°C–1500°C by confocal scanning laser microscopy (CSLM), and the slag-inclusion interfacial reaction was investigated by the scanning electron microscope (SEM). It was found that the addition of TiO<sub>2</sub> in the slags may change the dissolution mechanism of MgO·Al<sub>2</sub>O<sub>3</sub> inclusions, and the dissolution was controlled by diffusion in the boundary layer or in slag with a diffusion coefficient ranging from 2.38 × 10<sup>−9</sup> to 7.35 × 10<sup>−9</sup> m<sup>2</sup>·s<sup>−1</sup>. Besides, the addition of TiO<sub>2</sub> slightly changed the solubility of MgO·Al<sub>2</sub>O<sub>3</sub> in the slags, but its impact on slag properties played a more profound role in the dissolution of the inclusions. An appropriate addition of TiO<sub>2</sub> (e.g., 5%) helped the dissolution due to the lower viscosity and melting point of the slag, while an excessive TiO<sub>2</sub> content (e.g., 10%) showed an opposite effect. The dissolution rates of MgO·Al<sub>2</sub>O<sub>3</sub> inclusions were smaller than that of Al<sub>2</sub>O<sub>3</sub> inclusions. The lower chemical driving force of MgO·Al<sub>2</sub>O<sub>3</sub> and the precipitated MgO particles near the inclusion-slag boundary were the main reasons to result in the lower mass transfer rates.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Atomistic simulations of water-driven structural and mechanical changes in N–A–S–H gels","authors":"Eashow Shamo, Thibault Charpentier, Angélique Rousselet, Laurent Van Brutzel, Alain Chartier","doi":"10.1111/jace.70124","DOIUrl":"https://doi.org/10.1111/jace.70124","url":null,"abstract":"<p>This study employs molecular dynamics simulations to investigate the effect of varying water content (0–25 wt.%) and Si/Al ratio (1–3) on the atomistic structure and elastic properties of sodium aluminosilicate hydrates (N–A–S–H) gels. Results show that water molecules break the aluminosilicate framework by forming hydroxyl groups on AlO<sub>4</sub> and SiO<sub>4</sub> units. It induces the release of sodium from its charge-balancing role, which in turn solubilizes in water. The framework unfolds while the pores are progressively filled by water, and it leads to depolymerization. The elastic properties are therefore largely affected. In one hand, the framework of the gels and the filling of the pores by water control the evolution of the bulk modulus. On the other hand, subtle effects included in the density, where porosity and its saturation, density of the dry framework, and Si/Al ratio appear together, drive the Young's modulus.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ceramics.onlinelibrary.wiley.com/doi/epdf/10.1111/jace.70124","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196574","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Can Tian, Haiping Tang, Yifei Liang, Yuan Zhou, Haikui Song, Kun Yu, Yan Yan, Jinfeng Sun, Shaofei Zhang, Hua Tan, Haibo Zhang, Abdul Manan, Svetlana Krylova, Alexander S. Krylov, Alexander N. Vtyurin, Gang Liu
{"title":"Enhanced energy storage performance in SrTiO3-modified NBT-based lead-free ceramics via a stepwise strategy","authors":"Can Tian, Haiping Tang, Yifei Liang, Yuan Zhou, Haikui Song, Kun Yu, Yan Yan, Jinfeng Sun, Shaofei Zhang, Hua Tan, Haibo Zhang, Abdul Manan, Svetlana Krylova, Alexander S. Krylov, Alexander N. Vtyurin, Gang Liu","doi":"10.1111/jace.70177","DOIUrl":"https://doi.org/10.1111/jace.70177","url":null,"abstract":"<p>Lead-free dielectric ceramics are gaining prominence in energy storage due to their superior power density and rapid charge/discharge capabilities. However, Na<sub>0.5</sub>Bi<sub>0.5</sub>TiO<sub>3</sub> (NBT)-based ceramics stand out as particularly promising dielectric materials, but face two critical challenges: excessive remnant polarization and inadequate dielectric strength, which substantially limit their energy storage performance. To enhance energy storage performance in lead-free ferroelectric ceramics, a stepwise optimization method was adopted in this study. The strategy combines compositional engineering through precise elemental ratio adjustment to tailor microstructural characteristics, and processing optimization to significantly enhance breakdown strength (<i>E</i><sub>b</sub>). This dual-approach methodology has been experimentally demonstrated to effectively boost the energy storage capabilities of the ceramic system. The incorporation of SrTiO<sub>3</sub> as a modifier successfully induced nanoscale domain structures in the 0.91Na<sub>0.5</sub>Bi<sub>0.5</sub>TiO<sub>3</sub>-0.09K<sub>0.7</sub>La<sub>0.1</sub>NbO<sub>3</sub> (NBT-KLN-based) system, yielding desirable slim <i>P</i>-<i>E</i> loops. Subsequently, the viscous polymer processing (VPP) technique was utilized to minimize defects and boost density, thereby significantly enhancing the <i>E</i><sub>b</sub>. The optimized NBT-KLN-0.20ST-vpp composite ceramics demonstrated remarkable energy storage properties, achieving a high <i>W</i><sub>rec</sub> of 5.34 J/cm<sup>3</sup> and efficiency of 82% under 460 kV/cm. This study not only offers a viable strategy for improving NBT-based ceramics but also lays the groundwork for designing advanced energy storage materials, demonstrating promising applications in compact power electronics.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Temperature-stable direct current-biased energy storage in barium titanate-based lead-free ceramics via paraelectric engineering","authors":"Longwen Wu, Jian Wang, Guitian Lan, Wenchao Li, Pengfei Meng, Shenli Jia","doi":"10.1111/jace.70173","DOIUrl":"https://doi.org/10.1111/jace.70173","url":null,"abstract":"<p>High-energy-density multi-layer ceramic capacitors are essential for high-density power converters. Lead-free barium titanate (BaTiO<sub>3</sub>)-based ferroelectric ceramics are widely employed in low-voltage scenarios, owing to their high permittivity. However, the ferroelectric state reveals strong dielectric nonlinearity, which limits applications for high-density power converters working at high voltages. At the paraelectric state, the dielectric nonlinearity is significantly lower, which, however, only occurs at about 130°C or above. In this work, BaTiO<sub>3</sub> is modified with La(Zn<sub>2/3</sub>Nb<sub>1/3</sub>)O<sub>3</sub> to stabilize the paraelectric state within the operating temperature range through paraelectric engineering. The optimized 0.92BaTiO<sub>3</sub>-0.08La(Zn<sub>2/3</sub>Nb<sub>1/3</sub>)O<sub>3</sub>-1 wt.%SiO<sub>2</sub> ceramic exhibits excellent temperature stability, with a small energy density variation below 3% and high efficiency above 95% at a severe electric field of 200 kV/cm direct current (DC) superimposed with 50 kV/cm AC over a wide temperature range of 25–125°C. The high efficiency is related to the consistency between grain and grain boundary contributions from impedance analysis. The excellent temperature stability is elucidated by deconvolution of temperature-dependent current density-electric field curves, which specifies that the dominant linear contribution and minimal leakage current remain nearly unchanged against various temperatures at DC-biased electric fields. Moreover, the optimized ceramic demonstrates remarkable frequency stability in the range of 5–200 Hz and outstanding cycling reliability up to 10<sup>5</sup> cycles, with the variation of discharged energy density less than 1% and 1.5%, respectively. The proposed paraelectric engineering paves a promising way for enhancing DC-biased energy storage with temperature stability in lead-free ferroelectrics towards high-density power converters.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Co-doping modulated magnetocaloric effect and critical behavior of kagome MgMn6Sn6","authors":"Zhengyi Li, Shuwei Liu, Xucai Kan, Ganhong Zheng, Zhenxiang Dai, Zhigao Sheng","doi":"10.1111/jace.70166","DOIUrl":"https://doi.org/10.1111/jace.70166","url":null,"abstract":"<p>Single crystals of MgMn<sub>5.95</sub>Co<sub>0.05</sub>Sn<sub>6</sub> were synthesized via the flux method, and their magnetic properties, magnetocaloric effects, and critical behavior were systematically investigated. Compared to the ferromagnetic (FM) MgMn<sub>6</sub>Sn<sub>6</sub> parent compound, Co doping induces an antiferromagnetic-like low-magnetization state. The maximum magnetic entropy change <span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mo>(</mo>\u0000 <mrow>\u0000 <mrow>\u0000 <mo>|</mo>\u0000 </mrow>\u0000 <mrow>\u0000 <mo>−</mo>\u0000 <mi>Δ</mi>\u0000 <msubsup>\u0000 <mi>S</mi>\u0000 <mi>M</mi>\u0000 <mi>max</mi>\u0000 </msubsup>\u0000 </mrow>\u0000 <mrow>\u0000 <mo>|</mo>\u0000 </mrow>\u0000 </mrow>\u0000 <mo>)</mo>\u0000 </mrow>\u0000 <annotation>$( {| { - {{Delta}}S_{mathrm{M}}^{{mathrm{max}}}} |} )$</annotation>\u0000 </semantics></math> under Δ<i>H</i> = 50 kOe was determined as 2.87 J/kg·K (<i>H</i>//<i>ab</i>) and 2.57 J/kg·K (<i>H</i>//<i>c</i>). Scaling analysis of the magnetic entropy change curves revealed a field-dependent magnetic phase transition: a first-order transition dominates at low magnetic fields (<i>H</i> < 40 kOe), while a crossover to second-order behavior occurs at higher fields (<i>H</i> > 40 kOe). Critical exponents <i>β</i>, <i>γ</i>, and <i>δ</i> were derived using modified Arrott plots, Kouvel-Fisher analysis, and the Widom scaling relation (<i>δ</i> = 1 + <i>γ</i>/<i>β</i>), with consistency validated through the universal scaling equation <i>m</i> = <i>f</i><sub>±</sub>(<i>h</i>). The critical exponents for <i>H</i>//<i>ab</i> align closely with the 3D-Ising universality class, whereas those for <i>H</i>//<i>c</i> exhibit hybrid characteristics-proximity to the 3D-Heisenberg model below <i>T</i><sub>C</sub> and mean-field behavior above <i>T</i><sub>C</sub>. These findings highlight the anisotropic critical behavior and universality crossover induced by Co doping in the MgMn<sub>6</sub>Sn<sub>6</sub> system.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jonas R. Kessing, Alexander T. Nadermann, C. Brandon Shaver, Allyssa Bateman, Brian J. Jaques, David J. Sprouster, Justin L. Milner, Steven J. Zinkle
{"title":"Sintering behavior of ZrC, NbC, TaC, and (Zr0.33, Nb0.33, Ta0.33)C and the effects of powder impurities","authors":"Jonas R. Kessing, Alexander T. Nadermann, C. Brandon Shaver, Allyssa Bateman, Brian J. Jaques, David J. Sprouster, Justin L. Milner, Steven J. Zinkle","doi":"10.1111/jace.70141","DOIUrl":"https://doi.org/10.1111/jace.70141","url":null,"abstract":"<p>When mixed with uranium carbide, solid solutions of niobium carbide (NbC), tantalum carbide (TaC), and zirconium carbide (ZrC) are potential fuel candidates for nuclear thermal propulsion applications due to their high melting temperatures, stability in hot hydrogen, and low cross section of absorption for thermal neutrons. In this study, the spark plasma sintering (SPS) conditions to reach >95% relative density were determined for NbC, TaC, and ZrC mono-carbides and (Zr<sub>0.33</sub>, Nb<sub>0.33</sub>, Ta<sub>0.33</sub>)C. Oxide impurities found in one feedstock of ZrC were determined to significantly impact the SPS sintering conditions of the mono-carbide and tri-carbide samples containing the impure ZrC powder. The sintering temperature required to reach >95% relative density for the tri-carbide mixtures was found to be influenced most by the constituent with the lowest melting temperature, ZrC. The calculated densification activation energies for (Zr<sub>0.33</sub>, Nb<sub>0.33</sub>, Ta<sub>0.33</sub>)C were comparable to those of the ZrC powders, with impurity content varying based on the material supplier.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196603","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shiju Joseph, Rohit Prajapati, Julian M. Allwood, Cyrille Dunant
{"title":"Microstructure and hydration of interstitial in clinkers produced over molten steel","authors":"Shiju Joseph, Rohit Prajapati, Julian M. Allwood, Cyrille Dunant","doi":"10.1111/jace.70145","DOIUrl":"https://doi.org/10.1111/jace.70145","url":null,"abstract":"<p>Scalable electrical production of clinker is possible under reducing conditions, and the reactivity of C<sub>3</sub>A produced in such conditions has only been superficially described. We examined electric clinkers made over molten steel with a range of fineness and compared them against commercial clinkers. Using x-ray diffraction, calorimetry, and backscattered electron microscopy/image analysis, we investigated the roles of morphology, crystal structure, and phase interaction. Shortage of Fe<sup>3+</sup> ions in the interstitial in electric clinkers makes its C<sub>3</sub>A more reactive like white cements and synthetic systems. In the presence of ferric oxides, ferrite is formed and the concentration of dissolved Fe<sup>3+</sup> ions in C<sub>3</sub>A increases. The kinetics of C<sub>3</sub>A hydration are hindered both by the ferrite phases intermixing with the C<sub>3</sub>A phase, hence acting as a physical barrier for dissolution, and by Fe<sup>3+</sup> ions dissolving in C<sub>3</sub>A, thereby reducing its intrinsic reactivity. Although this higher reactivity of C<sub>3</sub>A requires more gypsum to ensure proper sulfation, this can be managed by controlling fineness and blending with supplementary cementitious materials.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ceramics.onlinelibrary.wiley.com/doi/epdf/10.1111/jace.70145","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rumi Acharya, Sayan Deb Dutta, Tejal V. Patil, Hojin Kim, Myoungjoon Jeon, Youjin Seol, Aayushi Randhawa, Ki-Taek Lim
{"title":"3D-printed magnesium/nanodiamond dual-doped hydroxyapatite composite hydrogels with antibacterial and in vitro bioactive properties for bone tissue engineering","authors":"Rumi Acharya, Sayan Deb Dutta, Tejal V. Patil, Hojin Kim, Myoungjoon Jeon, Youjin Seol, Aayushi Randhawa, Ki-Taek Lim","doi":"10.1111/jace.70121","DOIUrl":"https://doi.org/10.1111/jace.70121","url":null,"abstract":"<p>Bone regeneration remains a critical challenge in personalized healthcare, particularly when combating bacterial infections that impede healing. While various scaffold systems have been developed, the combination of magnesium and nanodiamond dual-doped hydroxyapatite (MgND-HAp) with natural polymers in a 3D-printable format, offering both antimicrobial protection and enhanced cellular response, has not been previously explored. In this study, we developed 3D-printable hydrogel scaffolds combining carboxymethyl chitosan, gelatin, and MgND-HAp for bone tissue engineering applications. The carboxymethyl chitosan–gelatin (CMG) hydrogel scaffolds were comprehensively evaluated for structural, physicochemical, and biological characteristics. x-Ray diffraction confirmed successful MgND-HAp incorporation, while rheological studies showed improved printability with increasing MgND-HAp concentration. The CMG 4% formulation exhibited optimal viscoelastic behavior (elastic modulus ∼12.5 kPa) and toughness (2.1 MJ/m<sup>3</sup>) with increasing concentration of MgND-HAp. Biocompatibility studies revealed enhanced cell viability and migration of human mesenchymal stem cells compared to control scaffolds. The increasing concentration of MgND-HAp demonstrated remarkable antibacterial efficacy against <i>Escherichia coli</i> (90%) and methicillin-resistant <i>Staphylococcus aureus</i> (95%) bacteria. Crystal violet staining assays confirmed significant biofilm inhibition across all MgND-HAp-containing formulations. These findings suggest that the developed CMG hydrogel scaffolds, particularly the CMG 2% and CMG 4% formulations, offer a promising platform combining excellent printability, mechanical stability, biocompatibility, and antimicrobial properties for bone tissue engineering applications.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ceramics.onlinelibrary.wiley.com/doi/epdf/10.1111/jace.70121","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Delineation of the reaction mechanism of Ti2AlC MAX-phase formation during spark plasma sintering synthesis","authors":"Mohammad Yunus, Bikas C. Maji","doi":"10.1111/jace.70130","DOIUrl":"https://doi.org/10.1111/jace.70130","url":null,"abstract":"<p>Despite several attempts to synthesize Ti<sub>2</sub>AlC MAX-phase using different processes and input materials, a comprehensive understanding of its formation mechanism is still lacking. This study reports, for the first time, a novel reaction mechanism of Ti<sub>2</sub>AlC MAX-phase formation, based on extensive microstructural characterizations and density functional theory (DFT)-based ab initio calculations. A systematic investigation was carried out up to 1400°C temperature to understand the phase transformation behavior in stoichiometric 2Ti:Al:C elemental powder mixture during spark plasma synthesis of Ti<sub>2</sub>AlC MAX-phase. An integrated approach was adopted to establish correlations between results obtained through differential scanning calorimetry, x-ray diffraction, scanning electron microscopy–energy-dispersive spectroscopy–electron backscattered diffraction characterizations, and DFT calculations. Microstructural examination revealed that the formation of Ti<sub>2</sub>AlC MAX-phase was preceded by successive transformation of Ti powder particles via a series of transient Ti–Al intermetallic formation between 660 and 1200°C, until the Ti particles get transformed into a core–shell structure of Ti<sub>2</sub>Al surrounded by TiAl intermetallic. The formation of Ti<sub>2</sub>AlC MAX-phase was observed to occur via two different reactions. Initially, the peripheral TiAl intermetallic reacts with TiC to form Ti<sub>2</sub>AlC MAX-phase in the temperature range of 1000–1200°C. At a later stage, the inner Ti<sub>2</sub>Al phase transforms to Ti<sub>2</sub>AlC MAX-phase through inward carbon diffusion till 1350°C.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 12","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://ceramics.onlinelibrary.wiley.com/doi/epdf/10.1111/jace.70130","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}