Materialia最新文献

{"title":"Effect of molar volume of diffusing elements and cross terms of Onsager formalism (vacancy wind effect) on estimated diffusion coefficients in ternary and multicomponent solid solutions","authors":"Aloke Paul","doi":"10.1016/j.mtla.2025.102400","DOIUrl":"10.1016/j.mtla.2025.102400","url":null,"abstract":"<div><div>The correlation between intrinsic and tracer diffusion coefficients considering the molar volume of the diffusing elements and cross phenomenological constants of Onsager (contributing to the vacancy wind effect) is established in guidance to Manning's analysis. Manning established this correlation assuming constant molar volume. A recent study in binary systems indicated a significant error in estimated data for consideration of constant molar volume if the molar volumes of the diffusing elements are significantly different. It also indicated that considering ideal molar volume variation is essential if a system's non-ideal molar volume variation is unknown. This could not have been practiced until now in ternary and multicomponent systems because of the unavailability of this correlation. This equation scheme is established in this study for conventional diffusion couples (all elements produce diffusion profiles) and constrained, such as pseudo-binary and pseudo-ternary diffusion couples (in which only two or three elements produce the diffusion profiles, respectively). The difference in data calculated considering a constant molar volume and neglecting the vacancy wind effect (which is mainly practiced until today) is compared with the data considering the molar volume of diffusing elements and vacancy wind effect in NiCoFeCr and an imaginary quaternary multi-principal element system. This indicates a significant error in estimated data when considering a constant molar volume if the molar volumes of the diffusing elements are reasonably different. Therefore, the outcome of this study is expected to bring a significant change in diffusion analysis in ternary and multicomponent systems.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102400"},"PeriodicalIF":3.0,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829784","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":"Silicoaluminophosphate (SAPO) zeolites with nanometric dimensions: Structural tuning for osteoinductive applications in bone regeneration","authors":"Camila Torres ,&nbsp;Emma C. Whitehead ,&nbsp;Benjamin P. Le Monnier ,&nbsp;Daniel Peña ,&nbsp;Alan Palomino-Calderón ,&nbsp;Miguel Neira ,&nbsp;Patricio Romero-Hasler ,&nbsp;Warren L. Grayson ,&nbsp;Michael Tsapatsis ,&nbsp;Cristian Covarrubias","doi":"10.1016/j.mtla.2025.102401","DOIUrl":"10.1016/j.mtla.2025.102401","url":null,"abstract":"<div><div>Despite significant advancements in traditional bone repair bioceramics, developing materials with inherent osteoinductive capabilities remains a challenge, highlighting the need for innovative biomaterials that actively promote osteogenesis. In this study, aluminophosphate (SAPO) zeolites with nanometric dimensions were hydrothermally synthesized, structurally tailored, and characterized to develop osteoinductive properties. Their in vitro bioactivity was evaluated through assays of apatite mineralization, degradation, ion release, protein adsorption, cell adhesion, viability, and osteogenic differentiation using pre-osteoblast cells.</div><div>SAPO-34 and SAPO-5 crystals, engineered with nanosheet-like morphologies and sub-nanometer nanoporous topologies, incorporated calcium and lithium cations into intra- (CaSAPO, LiSAPO) and extraframework (Ca/CaSAPO, Li/LiSAPO) positions while preserving their crystalline nanoporous structure. These zeolites promoted apatite formation within 14 days, driven by their high surface area, optimized surface chemistry, and the presence of calcium as extraframework cations.</div><div>SAPO zeolites exhibited a degree of degradation (5–22 wt. %) under simulated physiological conditions, accompanied by the sustained release of Li⁺ and Ca²⁺ ions. Cytocompatibility studies confirmed pre-osteoblast viability and adhesion up to 250 µg/mL over 14 days, with Ca/CaSAPO and Li/LiSAPO forms showing enhanced biocompatibility. The nanosized SAPO particles stimulated osteogenic cell differentiation in the absence of osteogenic supplements, driven not only by the release of bioactive ions but also by their intrinsic physical and chemical characteristics, including their nanoporous structure and surface composition.</div><div>These findings identify SAPO zeolites, particularly those modified with lithium and calcium, as promising candidates for bone regeneration. Future in vivo studies are recommended to evaluate their integration into scaffolds and applications in orthopedic and regenerative medicine.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102401"},"PeriodicalIF":3.0,"publicationDate":"2025-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143767861","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":"Structure and magnetotransport properties of Cd3As2 crystals synthesized via horizontal gas-transport method from non-stoichiometric precursor","authors":"L.N. Oveshnikov ,&nbsp;A.I. Ril’ ,&nbsp;A.B. Mekhiya ,&nbsp;A.B. Davydov","doi":"10.1016/j.mtla.2025.102397","DOIUrl":"10.1016/j.mtla.2025.102397","url":null,"abstract":"<div><div>In this work we investigated correlation of the structure and magnetotransport properties of Cd<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> crystals with growth conditions in the framework of horizontal gas-transport method. As a precursor we used crystal with non-stoichiometric ratio of elements, which resulted in the formation of small amount of CdAs<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> phase. We show that the latter can be used to obtain single phase Cd<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> crystal at higher growth rates. Obtained data suggests that the increase of condensation temperature do not affect lattice parameters or mean crystallite size of the Cd<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> phase, although it promotes the formation of the macroscopic defects. The latter increases observed resistivity values, without changing the relative amplitudes of its temperature and field dependences if the volume fraction of such defects remains constant. Carrier densities in studied crystals are substantially lower than typical values for crystals obtained from the melt. Estimated carrier mobility values are close for samples obtained at temperature below and above the <span><math><mrow><msup><mrow><mi>α</mi></mrow><mrow><mo>′</mo><mo>′</mo></mrow></msup><mo>−</mo><mi>β</mi></mrow></math></span> polymorphic transition, suggesting its minor role in properties of crystals obtained via gas-transport method. Observed linear magnetoresistance is qualitatively identical in all studied samples, although its amplitude decreases along with carrier density.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102397"},"PeriodicalIF":3.0,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143747796","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":"On the evolution of internal stresses and glide resistance during Bauschinger tests performed on a γ(TiAl) alloy","authors":"Jonathan D.H. Paul,&nbsp;Roland Hoppe,&nbsp;Michael Oehring,&nbsp;Fritz Appel","doi":"10.1016/j.mtla.2025.102398","DOIUrl":"10.1016/j.mtla.2025.102398","url":null,"abstract":"<div><div>Bauschinger tests performed on a γ(TiAl) alloy exhibit transient softening. Reversal of the strain path leads to a sharp drop in the yield stress, which then rises again to almost the value of non-predeformed specimens [1]. The present paper provides new data that may elucidate the phenomenon. The internal stress was measured by dip tests along the strain path involving (forward) compression and (backward) tension. In addition, the dislocation glide resistance was characterized by stress relaxation tests. Accordingly, the flow behaviour during the Bauschinger test is determined by the development of an internal stress field during forward compression, which upon strain reversal is inverted and then supports backward tension. At the same time, the dislocation glide resistance is significantly reduced. This behaviour is explained using literature on deformation processes in TiAl alloys.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102398"},"PeriodicalIF":3.0,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143851995","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":"The sulfur embrittlement in Ni-Al-Re model single crystal alloys: Sulfur-induced precipitation of Rhenium-rich δ phase","authors":"Qianjin Yang ,&nbsp;Zhiqiang Zhou ,&nbsp;Pan Xie ,&nbsp;Shuang He ,&nbsp;Libo Fu ,&nbsp;Yunsong Zhao ,&nbsp;Ze Zhang ,&nbsp;Cuilan Wu","doi":"10.1016/j.mtla.2025.102399","DOIUrl":"10.1016/j.mtla.2025.102399","url":null,"abstract":"<div><div>The impurity sulfur embrittlement of Ni-based single alloys has long been wrapped in mystery. In this work, we report for the first time the sulfur-induced precipitation of brittle rhenium-rich δ phase in a model Ni-based single alloy. The results showed that the addition of sulfur gave rise to the precipitation of rhenium-rich δ phase with hexagonal close-packed (HCP) crystal structure in the dendritic cores. Besides, the enrichment of sulfur and nickel elements were detected in the δ phase. The behavior of sulfur-induced precipitation of δ phase was rationalized by the first-principles calculations, which indicates that there is a strong bonding interaction between sulfur and rhenium atoms. This work provides a novel perspective on the understanding of the sulfur embrittlement in Ni-based single alloys.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102399"},"PeriodicalIF":3.0,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143724672","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":"Atomic scale characterization of precipitates in an Al-Si-Mg alloy containing excess Si and trace amounts of Cu","authors":"Seyed Moien Faregh ,&nbsp;Daniel Larouche ,&nbsp;X. Grant Chen","doi":"10.1016/j.mtla.2025.102396","DOIUrl":"10.1016/j.mtla.2025.102396","url":null,"abstract":"<div><div>The precipitation kinetics of a foundry Al-Si-Mg-(Cu) alloy containing excess Si and impurity levels of Cu were investigated on the atomic scale. A combination of APT, STEM and DSC analysis was used to characterize the evolution of chemical composition and crystal structure of the precipitates during artificial aging. It was observed that even at trace levels (0.02 wt. %), Cu has the capability to alter the precipitation sequence of the Al-Si-Mg alloy, where instead of pure <em>β</em>″, hybrid phases containing unit cells of <em>β</em>″, B′ and Q′ form during age hardening of the alloy in large number densities. APT investigation confirmed the incorporation of Cu in precipitates during peak-aging and its enrichment to maximum values during over-aging. Observance of more Q′ unit cells in the hybrid phases after over-aging was related to this Cu enrichment. Coarse Cu-free U1 phases nucleating predominantly on grain-boundaries were observed in the over-aged condition. Interfacial energies were calculated to explain the large number densities of the hybrid B′/Q′ precipitates and coarsening of the U1 phases.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102396"},"PeriodicalIF":3.0,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143814815","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":"Grain growth simulation of steels during heat treatment with statistically modeled discrete neighborhood","authors":"Marc Laub ,&nbsp;Eric Detemple ,&nbsp;Sebastian Scholl ,&nbsp;Christian Motz","doi":"10.1016/j.mtla.2025.102391","DOIUrl":"10.1016/j.mtla.2025.102391","url":null,"abstract":"<div><div>A new grain growth model is proposed that extends classical mean-field models to include the local neighborhood of grains. The theoretical basis of the approach is the equilibrium angle of grain boundaries at triple junctions, which is estimated to be 120°considering 2 dimensions, in the case of isotropic grain boundary energy. Based on this fact and a size comparison of individual grains, an algorithm is developed that assigns a discrete neighborhood relationship to all grains, resulting in the generation of an artificial microstructure. For validation, samples of a CMn steel were examined in different states after heat treatments and the microstructure was characterized using deep learning approaches to extract grain boundaries from etched samples with excellent statistics and reliability. The properties and statistical characteristics of the artificial and real microstructures are presented and compared. It is shown that simple topological approaches, such as the linear relationship between the number of grain neighbors and the relative grain size, are good only in a first approximation, but collapse in detail. The proposed model is able to resemble these small deviations of a real microstructure from topological models. Furthermore, the grain growth behavior of such an artificial microstructure is compared with real grain growth experiments. The comparison shows that by implementing the discrete neighborhood of grains, behaviors such as abnormal grain growth seem to be covered to a certain extent without additional treatment as required in other models.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102391"},"PeriodicalIF":3.0,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143687956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative study on quarry waste, manufactured sand, quarry dust as river sand replacement in cement mortar: Mechanical characteristics, durability, and eco-benefit","authors":"Mathurshika Pakkiyachandran,&nbsp;Navaratnarajah Sathiparan","doi":"10.1016/j.mtla.2025.102395","DOIUrl":"10.1016/j.mtla.2025.102395","url":null,"abstract":"<div><div>Masonry construction, a time-tested method, remains relevant due to its exceptional durability, strength, fire resistance, and low maintenance requirements. However, conventional practices often rely on river sand, a resource with environmental drawbacks like disrupted ecosystems and riverbed depletion. This research investigates the potential of quarry waste, manufactured sand (M-sand), and quarry dust as sustainable replacements for river sand in cement mortar. The study analyzes the impact of these alternatives on the hardened mortar's physical, mechanical, and durability properties. The results indicate that quarry waste exhibits improved water absorption and strength compared to river sand mortar, albeit with slightly reduced durability and increased density. M-sand offers lower water absorption and enhanced durability but marginally lower strength. Quarry dust, while reducing embodied energy and CO₂ emissions significantly, performs poorly in strength and durability. Quarry waste substantially reduces energy consumption and CO₂ emissions while maintaining acceptable strength and durability. Utilizing quarry by-products, M-sand, or a combination of these alternatives can minimize environmental damage caused by river sand extraction. Quarry waste is a promising option due to its improved strength, durability, and lower environmental impact than conventional river sand.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102395"},"PeriodicalIF":3.0,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143683608","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":"Behavior of Al-Al2O3 metal/ceramic multilayers under indentation and shock loadings","authors":"R. Goswami ,&nbsp;C.S. Pande ,&nbsp;A. Moser ,&nbsp;J.A. Wollmershauser","doi":"10.1016/j.mtla.2025.102394","DOIUrl":"10.1016/j.mtla.2025.102394","url":null,"abstract":"<div><div>Multilayers made of soft metallic and hard ceramic layers exhibit higher strength and toughness. Here we demonstrate a significantly high hardness when the individual layer thickness is well below 100nm. Nanoindentation measurements show significantly greater, 13-fold, enhancement of hardness with the decrease in layered thickness. A deviation from Hall-Petch relationship was observed as the layer thickness decreases to 10 nm, suggesting grain boundary sliding mechanism would be operative. We demonstrate the multilayered structures absorb more energy under shock deformation than the nonlayered structures with similar areal densities, making the layered structures more efficient than their bulk counterparts.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102394"},"PeriodicalIF":3.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143683610","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":"Effect of Si concentration on the liquid metal embrittlement susceptibility of advanced high strength steels","authors":"Fateme Abdiyan ,&nbsp;Joseph R. McDermid ,&nbsp;Andrew Macwan ,&nbsp;Bita Pourbahari ,&nbsp;Mirnaly Saenz de Miera ,&nbsp;Brian Langelier ,&nbsp;Hatem S. Zurob","doi":"10.1016/j.mtla.2025.102390","DOIUrl":"10.1016/j.mtla.2025.102390","url":null,"abstract":"<div><div>Resistance spot welding (RSW) trials were performed on electrogalvanized steel sheets with 0.6 and 1.5 wt% Si. It was shown that LME cracks were longer in the 1.5Si alloy. Moreover, Atom Probe Tomography (APT) in the vicinity of the crack tips revealed (i) an accumulation of Si at the solid/liquid interface due to the low solubility of Si in the Zn-based liquid and (ii) greater Zn diffusion from the liquid into the bulk steel substrate on either side of the crack for the 0.6Si alloy. Diffusion simulations indicated that a longer time is needed for the solidification of the Zn-based liquid in the 1.5Si alloy compared with the 0.6Si alloy, further suggesting a prolonged period of contact between the aggressive Zn-based liquid and substrate grain boundaries in the case of the 1.5Si alloy.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102390"},"PeriodicalIF":3.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143683611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}