Materialia最新文献

{"title":"Certification of boroxol ring population in vitreous B2O3 glass using theoretical simulations","authors":"Shingo Urata,&nbsp;Federica Lodesani","doi":"10.1016/j.mtla.2025.102474","DOIUrl":"10.1016/j.mtla.2025.102474","url":null,"abstract":"<div><div>Population of boroxol rings in vitreous borate glass (v-B<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>) is still debated due to several conflicting results from experiments and simulations. To address this issue, we examined structural models of v-B<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> using a combination of classical and <span><math><mrow><mi>a</mi><mi>b</mi></mrow></math></span> <span><math><mrow><mi>i</mi><mi>n</mi><mi>i</mi><mi>t</mi><mi>i</mi><mi>o</mi></mrow></math></span> molecular dynamics (MD) simulations. For the classical MD simulations, both analytical and machine-learning force fields (MLFF) were utilized to construct multiple v-B<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> models with varying amounts of boroxol rings, followed by <span><math><mrow><mi>a</mi><mi>b</mi></mrow></math></span> <span><math><mrow><mi>i</mi><mi>n</mi><mi>i</mi><mi>t</mi><mi>i</mi><mi>o</mi></mrow></math></span> MD and energy minimization using density functional theory. These diverse structures were compared with available experimental data, such as neutron and X-ray diffraction patterns, nuclear magnetic resonance (NMR), and Raman spectroscopy. Consequently, only models with more than 70% of boron atoms within boroxol rings reproduced these experimental data, confirming that a various boroxol rings should exist in v-B<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>. Specifically, NMR and Raman spectra of the v-B<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> models with fewer boroxol rings did not show the characteristic spectra observed experimentally even when their structures were sufficiently relaxed. We therefore conclude that the population of boron atoms within boroxol rings should be more than 70%, and could be as high as 80%. Finally, we updated the MLFF using the structural data that included a certain amount of boroxol rings obtained through this work. Consequently, it was demonstrated that accurate MLFF produces a certain amount of boroxol rings, while a quenching rate comparable to experimental condition is required to generate a reasonable population of boroxol rings.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102474"},"PeriodicalIF":3.0,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144580312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanical performance analysis of WZ-AlN: Quantitative study on elastic properties, generalized stacking fault energy and doping effects","authors":"Lin Zhang ,&nbsp;Shaorong Li ,&nbsp;Xiaozhi Wu ,&nbsp;Huaze Zhu ,&nbsp;Chengyue Wang ,&nbsp;Hao Wang ,&nbsp;Dongwei Qiao ,&nbsp;Chengfu Zhang ,&nbsp;Chuhan Cao ,&nbsp;Huan Wu ,&nbsp;Shengqiang Ma","doi":"10.1016/j.mtla.2025.102481","DOIUrl":"10.1016/j.mtla.2025.102481","url":null,"abstract":"<div><div>The generalized stacking fault energy (GSFE) has a significant impact on the mechanical properties of materials, especially on the plastic deformation ability of materials. In this paper, based on the density functional theory (DFT), we calculate the GSFE on the basal-plane {0001} and the prismatic-plane {10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0} of wz-AlN (wurtzite aluminum nitride). Meanwhile, the GSFE is also calculated when the Al atom is substitutionally doped with group-Ⅲ elements B, Ga, In, Tl, and 5d transition-metal elements Hg, Ir, Os, Re. Research indicates that in wz-AlN, except for the &lt;10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0&gt; direction of the basal-plane {0001}, the unstable stacking fault energy <em>γ</em>_us of the Shuffle type is smaller than that of the Glide type. Due to the existence of type-II stacking fault, among all the slip systems, the unstable stacking fault energy <em>γ</em>_us of the basal-plane {0001} Glide type along the &lt;10<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0&gt; direction is the minimum. Consequently, the material exhibits superior plasticity when deformation occurs along this specific direction. Among the group-Ⅲ element dopings, Tl atom has the most significant enhancement effect on the plastic deformation ability of wz-AlN. Among the 5d transition-metal elements, Hg atom has the best enhancement effect on the plastic deformation ability of wz-AlN. Meanwhile, it is found that the greater the difference between the radius of the doping atom and that of the base atom, the better the effect on enhancing the plastic deformation ability of the material.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102481"},"PeriodicalIF":3.0,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144589056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermodynamic potentials of metallic alloys in the undercooled liquid and solid glassy states","authors":"A.S. Makarov ,&nbsp;R.A. Konchakov ,&nbsp;N.P. Kobelev ,&nbsp;V.A. Khonik","doi":"10.1016/j.mtla.2025.102471","DOIUrl":"10.1016/j.mtla.2025.102471","url":null,"abstract":"<div><div>We first present a comparative analysis of temperature evolution of the excess thermodynamic potentials (state functions), the enthalpy <span><math><mrow><mi>Δ</mi><mi>H</mi></mrow></math></span>, entropy <span><math><mrow><mi>Δ</mi><mi>S</mi></mrow></math></span> and Gibbs free energy <span><math><mrow><mi>Δ</mi><mi>Φ</mi></mrow></math></span>, determined for <em>i</em>) undercooled melts using literature data and <em>ii</em>) solid glassy state calculated on the basis of calorimetry measurements using an approach proposed recently. Three metallic alloys were taken as an example for data analysis. It is found that temperature dependences <span><math><mrow><mi>Δ</mi><mi>H</mi><mrow><mo>(</mo><mi>T</mi><mo>)</mo></mrow></mrow></math></span>, <span><math><mrow><mi>Δ</mi><mi>S</mi><mrow><mo>(</mo><mi>T</mi><mo>)</mo></mrow></mrow></math></span> and <span><math><mrow><mi>Δ</mi><mi>G</mi><mrow><mo>(</mo><mi>T</mi><mo>)</mo></mrow></mrow></math></span> calculated with both approaches coincide in the supercooled liquid range (i.e. at temperatures <span><math><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>g</mi></mrow></msub><mo>&lt;</mo><mi>T</mi><mo>&lt;</mo><msub><mrow><mi>T</mi></mrow><mrow><mi>x</mi></mrow></msub></mrow></math></span>, where <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span> and <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>x</mi></mrow></msub></math></span> are the glass transition and crystallization onset temperatures, respectively). However, the necessary conditions for this coincidence is the introduction of important changes to the above approach <em>i</em>), which are related to the calculation of the melting entropy. We also introduce and calculate a dimensionless order parameter <span><math><mi>ξ</mi></math></span>, which changes in the range <span><math><mrow><mn>0</mn><mo>&lt;</mo><mi>ξ</mi><mo>&lt;</mo><mn>1</mn></mrow></math></span> and characterizes the evolution of the structural order from liquid-like to crystal-like one. It is shown that the order parameter <span><math><msub><mrow><mi>ξ</mi></mrow><mrow><mi>s</mi><mi>c</mi><mi>l</mi></mrow></msub></math></span> calculated for the end of the supercooled liquid range (i.e. for a temperature just below <span><math><msub><mrow><mi>T</mi></mrow><mrow><mi>x</mi></mrow></msub></math></span>) correlates with the melt critical cooling rate <span><math><msub><mrow><mi>R</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span>: the smaller the order parameter <span><math><msub><mrow><mi>ξ</mi></mrow><mrow><mi>s</mi><mi>c</mi><mi>l</mi></mrow></msub></math></span> (i.e. the closer the structure to that of the equilibrium liquid), the smaller <span><math><msub><mrow><mi>R</mi></mrow><mrow><mi>c</mi></mrow></msub></math></span> is.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102471"},"PeriodicalIF":3.0,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144562907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemometric optimization of PVA nanocomposites: Synergistic effects of CNT, Cu, HEC-Ac, and hyperbranched polymers on mechanical properties","authors":"Jessica Moreno Betancourth ,&nbsp;Valeria Sueldo Occello ,&nbsp;Eliana D. Farias ,&nbsp;Valeria Pfaffen ,&nbsp;Verónica Brunetti","doi":"10.1016/j.mtla.2025.102480","DOIUrl":"10.1016/j.mtla.2025.102480","url":null,"abstract":"<div><div>This paper presents a novel approach to the custom design of polyvinyl alcohol (PVA) based nanocomposites, by using chemometric methods to identify optimal proportions of organic/inorganic reinforcements that enhance mechanical properties such as flexibility and strength. Employing material characterization techniques, such as scanning electron microscopy (SEM), confocal laser microscopy (CLSM), atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS), we elucidate the synergistic effects of hyperbranched polyester polyol polymers (Boltorn®H20), hydroxyethylcellulose with citric acid (HEC-Ac), carbon nanotubes (CNT), and Cu microparticles on the mechanical behaviour of PVA nanocomposites. The incorporation of CNT and Cu into a PVA (Young’s modulus: 5.4 GPa) increases stiffness by 30 %, which rises to 54 % with the addition of the H20 hyperbranched polymer. Our findings demonstrate that the incorporation of CNT, Cu, H20, and HEC-Ac at their maximal amounts in PVA allows the development of a hard material with a high capacity for strain-induced hardening. Conversely, the exclusion of Cu in these nanocomposites yields a soft material with an enhanced capacity for hardening. Furthermore, it would be feasible, for instance, to develop a coating for a flexible circuit by incorporating CNT, HEC-Ac, and H20. This material would be highly flexible and resilient, but under tensile stress, its behaviour would change, hardening to protect the circuit. This innovative methodology enables the customisation of nanocomposite properties to meet specific application needs, such as protective coatings for flexible circuits. Ultimately, the study underscores the innovative potential of multivariate design and chemometric techniques in enhancing the mechanical properties of PVA-based nanocomposites, paving the way for their application in diverse industrial and biomedical fields.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102480"},"PeriodicalIF":3.0,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144596819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical simulation of solidification within the shot sleeve of high-pressure die casting and the prediction of secondary dendrite arm spacing for externally solidified crystals","authors":"Nagasivamuni Balasubramani,&nbsp;Ahmed Ktari,&nbsp;Mohamed El Mansori","doi":"10.1016/j.mtla.2025.102479","DOIUrl":"10.1016/j.mtla.2025.102479","url":null,"abstract":"<div><div>The formation of externally solidified crystals (ESCs) within the shot sleeve of cold chamber high-pressure die casting (HPDC) is undesirable for mechanical properties, as it is often associated with defects (oxides and shrinkage porosities). Understanding the solidification conditions within the shot sleeve is critical to reduce the formation of ESCs. Using finite element simulations, the effect of interfacial heat transfer coefficient <span><math><mrow><mo>(</mo><mi>h</mi><mo>)</mo></mrow></math></span>, fill volume (<span><math><mrow><msub><mi>f</mi><mi>v</mi></msub><mrow><mo>)</mo></mrow></mrow></math></span>, and piston displacement has been simulated to systematically investigate the development of thermal gradient and solid fraction. More emphasis is provided on the temperature loss and solidification occurring at distances up to 5 mm from the alloy-shot sleeve interface as a function of <span><math><mi>h</mi></math></span> and <span><math><msub><mi>f</mi><mi>v</mi></msub></math></span>. Simulation results indicate that the onset of solidification along the wall regions (up to 2 mm) occurs within 0.5 s after complete filling for all <span><math><mi>h</mi></math></span> <span><math><mo>≥</mo></math></span> 5 kW/m²K. Under standard HPDC operating conditions and for a given alloy composition, increasing the <span><math><msub><mi>f</mi><mi>v</mi></msub></math></span> from 20 to 40 % can significantly decrease the total solid fraction (from 20 % to 10 %) along the sleeve wall. Based on the cooling rate predicted from numerical simulations and correlating the solidification conditions with unsteady (un-constrained) directional solidification studies for Al-7Si alloys, both high-growth and slow-growth regimes are identified. Using the relationships between growth rate and cooling rate with secondary dendritic arm spacing (SDAS), the locations for the growth of large size ESCs and cold flakes with finer SDAS are predicted as a function of <span><math><mi>h</mi></math></span> and distance from the alloy-shot sleeve interface. Potential mechanisms for the origin, growth of large size ESCs and migration during piston displacement have been discussed.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102479"},"PeriodicalIF":3.0,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144571947","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Excellent cryogenic temperature mechanical properties of L12 strengthened (CoCrNi)94Al3Ti3 complex concentrated alloy","authors":"Ayush Sourav ,&nbsp;Sudeep Kumar T ,&nbsp;Sandeep Kumar Yadav ,&nbsp;Satya Gowtam Dommeti ,&nbsp;Shanmugasundaram Thangaraju","doi":"10.1016/j.mtla.2025.102478","DOIUrl":"10.1016/j.mtla.2025.102478","url":null,"abstract":"<div><div>Metallic alloys with outstanding mechanical properties at cryogenic temperatures are in high demand for engineering applications such as cryogenic vessels. In this work, the mechanical properties of (CoCrNi)₉₄A₃Ti₃ at both room temperature (RT) and cryogenic temperature (77 K) were assessed. An increase in yield strength (Y.S) from 790 ± 25 MPa at RT to 1035 ± 10 MPa, at 77 K while ductility improvement from 45 % to 60 % was observed in the aged sample. Microstructural investigations revealed that the samples deformed at RT deformed predominantly via planar slip. The simultaneous increase in strength and ductility, higher strain-hardening behavior, and delayed necking of the alloy at 77 K are attributed to multiple deformation mechanisms, including dislocation slip, stacking faults, microbands, and twinning. The alloy exhibits one of the best combinations of strength and ductility at both RT and 77K, highlighting its potential for applications requiring superior mechanical performance in low-temperature environments.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102478"},"PeriodicalIF":3.0,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144589126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elastic wave propagation in textured polycrystalline materials: A computationally-efficient and experimentally-supported approach","authors":"Himanshu Gupta ,&nbsp;S. Gopalakrishnan ,&nbsp;Satyam Suwas","doi":"10.1016/j.mtla.2025.102465","DOIUrl":"10.1016/j.mtla.2025.102465","url":null,"abstract":"<div><div>In this study, a computationally efficient and experimentally supported approach has been introduced in order to simulate the elastic wave propagation in polycrystalline materials, primarily for investigating the influence of texture intensity on the wave’s group velocity. To this end, synthetic microstructures were generated using a voxel-based software, with systematically varying texture intensities, guided by both analytical inputs and experimentally derived Euler angles from deformed and annealed copper samples. A key novelty of this methodology is the use of a reduced set of the most frequently occurring Euler angles, each assigned a weight, which preserves the texture characteristics while significantly reducing computational demand. To isolate the influence of grain orientation, grain size distribution was kept constant across all cases. Time-domain wave propagation studies were then performed in a commercially available finite element solver to analyse wave behaviour. The results demonstrated that increasing texture intensity in two different texture conditions, namely Cube {001} <span><math><mrow><mo>〈</mo><mn>100</mn><mo>〉</mo></mrow></math></span> and Copper {112}<span><math><mrow><mo>〈</mo><mn>111</mn><mo>〉</mo></mrow></math></span>, shows a reduction in grain boundary scattering, and a gradual shift in group velocity between isotropic and single crystal bound. For a practical scenario, microstructures containing multiple texture components were also investigated, revealing an intermediate velocity between the two bounds, which facilitates recognizing the presence of weak or strong texture in a material. This integrative and resource-optimized approach not only strengthens the understanding of elastic wave behaviour at the micron-scale, but also contributes towards advancing the non-destructive characterization of crystallographic texture.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102465"},"PeriodicalIF":3.0,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144516974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Acoustic shock wave engineering of cadmium selenide: Structural, optical, and morphological evolution","authors":"F. Irine Maria Bincy ,&nbsp;S. Oviya ,&nbsp;Raju Suresh Kumar ,&nbsp;P. Kannappan ,&nbsp;K. Jagannathan ,&nbsp;P. Sivaprakash ,&nbsp;Ikhyun kim ,&nbsp;S.A. Martin Britto Dhas","doi":"10.1016/j.mtla.2025.102476","DOIUrl":"10.1016/j.mtla.2025.102476","url":null,"abstract":"<div><div>This study examines the effects of acoustic shock waves on the structural, optical and, morphological properties of cadmium selenide (CdSe) nanoparticles, aiming to enhance their application in solar cells and energy conversion applications. CdSe is noted for its excellent light absorption; however, its inherently weak structure under extreme conditions limits its long-term stability and solar cell performance. To observe changes in its structure, optical and morphological properties and to check its stability under extreme conditions, CdSe is subjected to acoustic shock waves at a pressure of 0.59 MPa, a temperature of 520 K, and a Mach number of 1.5. Analytical techniques are employed, including X-ray diffraction (XRD), Raman spectroscopy, UV–Vis diffuse reflectance spectroscopy (DRS), photoluminescence (PL), and high-resolution scanning electron microscopy (HR-SEM). Results show significant improvements, such as lower strain rates and enhanced crystallinity. The crystallite size increased from 2.8 to 3.3 nm. The bandgap shifts from 1.761 eV to 1.741 eV, and enhanced PL intensity indicates improved light absorption, and a more uniform and clearer needle-like morphology under shock-loaded conditions, which may lead to better mechanical properties. The overall study finds that CdSe structural robustness, improved optical properties, and reduced defects, such as lattice strain and distortion, effectively reduce the material's degradation issue. The optical and morphological properties were tuned to improve the solar cell performance. These findings highlight the novelty of using acoustic shock wave treatment as a quite new technique to uniquely enhance the structural, optical, and morphological properties of CdSe. Such comprehensive improvements make it a promising approach for increasing both the efficiency and durability of CdSe-based solar and energy conversion devices.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102476"},"PeriodicalIF":3.0,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144557426","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sintering of loose Pisha sandstone to prepare ceramic sand and mineral evolution response mechanism","authors":"Xiaoze Zhao,&nbsp;Xiaoli Li,&nbsp;Dahu Li","doi":"10.1016/j.mtla.2025.102477","DOIUrl":"10.1016/j.mtla.2025.102477","url":null,"abstract":"<div><div>To enhance the effective utilization of loose Pisha sandstone resources, this study introduces an innovative method for preparing ceramic sand from Pisha sandstone. Through comprehensive experimental analysis, the optimal sintering temperature was determined, and the mineral evolution processes during sintering were thoroughly investigated using FactSage thermodynamic simulation software combined with thermal analysis methods. Moreover, the influence of high-temperature liquid phase formation on the pore structure was analyzed, and the exact liquid phase content at the optimal sintering temperature was quantified. Results showed the optimal sintering temperature to be 1125 °C, yielding ceramic sand with a compressive strength of 5.29 MPa, bulk density of 964.3 kg/m³, and water absorption rate of 2.99 %, meeting the standards for 1000-grade lightweight fine aggregates. The formation of low-eutectic liquid phases involving feldspar, quartz, wollastonite, and diopside significantly reduced porosity and enhanced densification of the ceramic structure. The optimal liquid phase content at 1125 °C was precisely calculated as 85.48 %. This research provides a solid theoretical basis for developing new strategies to sustainably exploit Pisha sandstone resources, a major sediment source in the Yellow River basin.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102477"},"PeriodicalIF":3.0,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multiphysics simulation and microstructure prediction of coaxial wire-laser additive manufacturing process","authors":"Zichen Kong,&nbsp;Gildas Guillemot,&nbsp;Michel Bellet,&nbsp;Charles-André Gandin","doi":"10.1016/j.mtla.2025.102461","DOIUrl":"10.1016/j.mtla.2025.102461","url":null,"abstract":"<div><div>The paper addresses the numerical modeling of heat transfer, fluid flow and microstructure formation in the wire-laser additive manufacturing (WLAM) process. The three-beam WLAM configuration is studied, where the primary laser light is divided into equivalent beams which coaxially converge to heat the feeder wire just prior its plunging and melting into the melt pool. The numerical modeling is conducted in a level set framework, using unstructured finite elements with periodic adaptative remeshing. An original method is proposed to avoid an explicit description of the feeding wire. Instead, a volume source domain is defined within the melt pool, where a specific velocity field is imposed. This velocity field accounts for the impingement effect of the incoming wire, and has a positive divergence derived from the mass feeding rate. At the same time, the right-hand side of the heat equation is modified to account for the input of energy due to the plunging of the heated wire. In addition, a cellular automaton method is coupled within the finite element analysis to predict grain structure development, by epitaxial growth from the substrate, based on the temperature field evolution during the solidification stage. The developed coupled methodology is applied to single-track deposition of IN718 on a substrate made of the same alloy. The influence of process parameters on bead morphology, microstructure evolution and texture formation are presented and discussed.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102461"},"PeriodicalIF":3.0,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144513560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}