Materialia最新文献

{"title":"Quantifying microstructural heterogeneity and its link to dynamic fragility in CuZr metallic glasses","authors":"Saihua Liu,&nbsp;Xiuwei yao,&nbsp;Minhua Sun","doi":"10.1016/j.mtla.2025.102442","DOIUrl":"10.1016/j.mtla.2025.102442","url":null,"abstract":"<div><div>The absence of effective parameters to describe structural heterogeneity impedes the investigation into its correlation with the physical properties of materials. Here, we introduce the use of Moran's index, typically employed in geographical studies to characterize spatial heterogeneity, for the depiction of structural heterogeneity in metallic glasses. By employing molecular dynamics simulations in conjunction with Moran's index, we quantitatively assess the degree of microstructural heterogeneity in Cu50Zr50 and Cu64Zr36 metallic glasses and examine its connection to dynamic fragility. Our findings reveal that the spatial structural heterogeneity in the Cu50Zr50 system is significantly lower than that in the Cu64Zr36 system, with a more gradual decrease observed as temperature is reduced, suggesting that Cu50Zr50 possesses a more stable liquid structure. Our study indicates that lower levels of heterogeneity and a diminished temperature dependence of this heterogeneity correlate with stronger dynamic fragility. Furthermore, our methodology demonstrates the potential to be an effective tool for elucidating structural heterogeneity in metallic glasses.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"41 ","pages":"Article 102442"},"PeriodicalIF":3.0,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147103","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":"Alloying and heat treatment effect on a medium-Mn steel","authors":"D.M. Field,&nbsp;D.J. Magagnosc,&nbsp;M.C. Rupinen","doi":"10.1016/j.mtla.2025.102444","DOIUrl":"10.1016/j.mtla.2025.102444","url":null,"abstract":"<div><div>A base 10Mn-0.15C-2Al (in wt. %) steel was sequentially alloyed with Mo, B, V, and Cu to identify the effects of both alloying addition and heat treatment on the microstructure and properties of the steel. The volume fraction and stability of the austenite as influenced by alloy content and intercritical annealing temperature produced the greatest effect on room temperature quasi-static tensile and Charpy V-notch (CVN) impact properties. When CVN testing was performed at -40 °C the impact properties were independent of austenite and produced an average of 74 ± 4 J apart from the Base alloy that had exceptionally low toughness of 28 J at -40 °C. The austenite fractions were shown to be controlled by the thermodynamic stability of the austenite as calculated through the Ghosh-Olson martensite model. Finally, the effect of microstructure on toughness metrics was considered and it was found that increased retained austenite did not always provide increased toughness.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102444"},"PeriodicalIF":3.0,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144184737","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":"A fully human In-vitro model for bone metastasis: potential of an electrospun scaffold as alternative to biological materials for osteoblast/osteoclast differentiation","authors":"Jesus G. Nieves ,&nbsp;Sarah L. Nietzer ,&nbsp;Laura Lechner ,&nbsp;Tobias Weigel ,&nbsp;Lisa Bauer ,&nbsp;Katharina Fuchs ,&nbsp;Caroline Remmert ,&nbsp;Evelyn Putz ,&nbsp;Sabine Kuhn ,&nbsp;Michael Hudecek ,&nbsp;Maximilian Rudert ,&nbsp;Rita Pereira ,&nbsp;Jovana Ilić ,&nbsp;Marietta Herrmann ,&nbsp;Regina Ebert ,&nbsp;Gudrun Dandekar ,&nbsp;Sanjana Mathew-Schmitt","doi":"10.1016/j.mtla.2025.102440","DOIUrl":"10.1016/j.mtla.2025.102440","url":null,"abstract":"<div><div>The development of bone metastases poses a clinical challenge for patients with malignancies originating from diverse organs, including lungs, prostate, and breast. These metastatic events correlate with a poorer prognosis, and treatments are predominantly palliative. Furthermore, traditional <em>in-vivo</em> models for bone metastasis research have limitations, primarily due to species-specific differences. Therefore, we sought an alternative <em>in-vitro</em> model that is human cell based, robust and capable of a relatively quick establishment. Initially, we studied the potential of a decellularized porcine jejunum scaffold named Small Intestinal Submucosa with mucosa (SISmuc) and compared it to decellularized human bone and two synthetic scaffolds. We assessed various parameters related to osteoblast differentiation such as calcification, collagen I protein expression, and further differentiation to mature osteocytes indicated by sclerostin protein expression. The synthetic electrospun matrix demonstrated to be a good alternative to SISmuc, particularly when combined with bioactive glass 45S5, which enhanced calcification. We also incorporated osteoclasts into our model and demonstrated that monocytes could be more effectively differentiated into osteoclasts in a 3D environment compared to traditional 2D cultures. Within seven weeks, we successfully generate an <em>in-vitro</em> model incorporating osteoblasts, osteoclasts, and tumor cells. As a potential strategy for treating bone metastases, we found Chimeric Antigen Receptor T cells within lung and pancreatic bone metastasis models to be effective in reducing the number of tumor cells and inducing apoptosis. This innovative research establishes a foundation for more sophisticated 3D <em>in-vitro</em> models of bone metastasis, holding significant promise for advancing preclinical cancer research and therapeutic strategies.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102440"},"PeriodicalIF":3.0,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223436","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":"Monolithic copper-doped carbonated apatite synthesized at low-temperature exhibits in vitro antibacterial effect and in vivo bone regenerative properties","authors":"Pery Freitas,&nbsp;Janice Lay Tin Tan,&nbsp;Kunio Ishikawa","doi":"10.1016/j.mtla.2025.102441","DOIUrl":"10.1016/j.mtla.2025.102441","url":null,"abstract":"<div><div>Copper (Cu) is a promising dopant for synthetic bone substitutes due to its antibacterial and pro-angiogenic properties. In this study, we synthesized monolithic carbonated apatite (CO₃Ap) doped with Cu²⁺ ions using a low-temperature dissolution-precipitation approach, avoiding high-temperature processing and phase decomposition. The resulting Cu-CO₃Ap scaffolds retained a single-phase apatitic structure and exhibited compositional homogeneity, low crystallinity, and interconnected porosity. The highest Cu content (4.45 ± 0.56 mass %) achieved ∼95 % <em>in vitro</em> bacterial growth inhibition against <em>Staphylococcus epidermidis. In vivo</em> implantation in rabbit femoral defects demonstrated comparable bone regeneration between undoped and Cu-doped CO₃Ap groups, confirming biocompatibility and osteoconductivity. These findings suggest that low-temperature Cu incorporation into CO₃Ap enables the development of antibacterial bone scaffolds without compromising regenerative potential.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102441"},"PeriodicalIF":3.0,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212409","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":"Microstructure and mechanical performance of AISI D2 tool steel after standard and modified deep cryogenic treatment","authors":"Venu Yarasu ,&nbsp;Bojan Podgornik ,&nbsp;Barbara Setina Batic ,&nbsp;Marko Sedlacek ,&nbsp;Črtomir Donik ,&nbsp;Francisco Ruiz-Zepeda","doi":"10.1016/j.mtla.2025.102433","DOIUrl":"10.1016/j.mtla.2025.102433","url":null,"abstract":"<div><div>This research investigates the potential benefits of cyclic deep cryogenic treatment (CDCT) on AISI D2 cold-work tool steel, focusing on hardness and fracture toughness enhancement and their correlation with structural changes. While conventional deep cryogenic treatment (DCT) at −196 °C has demonstrated positive effects on tool steel properties, the specific long durations of DCT remain a limitation for industrial applications. AISI D2 steel specimens underwent conventional heat treatment and deep cryogenic treatment (DCT) at −196 °C for 24 hours, alongside CDCT with 2, 5, and 10 cycles within the same temperature range. The microstructural evolution, phase transformations, residual stresses, hardness, and fracture toughness induced by these treatments were thoroughly analyzed using advanced characterization techniques, including SEM-EDS, EBSD, XRD, and TEM. Macro- and micro-hardness measurements were conducted using Rockwell and Vickers methods, while fracture toughness was assessed using circumferentially notched and fatigue-pre-cracked tensile bar specimens. The results indicate that all samples exhibited comparable bulk hardness values. However, fracture toughness showed significant enhancement with CDCT, with the CDCT2 treatment achieving the highest improvement—68 % greater than that of the conventional treatment. Microstructural analysis reveals refined martensitic structures with nanotwins, stacking faults, dislocations, an enhanced count of small secondary carbides, increased precipitation of nanosized carbides, and lower residual stresses as key contributors to the enhanced mechanical properties.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"41 ","pages":"Article 102433"},"PeriodicalIF":3.0,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105863","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":"Investigation of sapphire strength across the scales","authors":"Ronan Henry ,&nbsp;Aurélien Doitrand ,&nbsp;Sylvain Meille","doi":"10.1016/j.mtla.2025.102439","DOIUrl":"10.1016/j.mtla.2025.102439","url":null,"abstract":"<div><div>The strength of sapphire across several length scales has been studied by micro-cantilever bending tests on specimens with the a-plane perpendicular to the main loading direction. The combined machining of two types of FIB (Ga and plasma Xe) is used to produce specimens with a wide range of dimensions, with specimen heights ranging from a few microns to several tens of microns. All specimens exhibit a fracture surface along m-planes. These micro-bending strength results are compared with macroscopic bending results obtained on the same sample with the same orientation. A marked size effect is observed on the measured strength, ranging from around 20 GPa at the micrometric scale down to 650 MPa for macroscopic specimens. A comparison with data from literature on sapphire samples of different size is made. Statistical models are found unable to capture the size effect on the entire range of sample sizes.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"42 ","pages":"Article 102439"},"PeriodicalIF":3.0,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307787","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 transformation temperature on the microstructure of an ASTM A335 grade P91 steel isothermally transformed to ferrite","authors":"J.I. Besoky ,&nbsp;C.P. Ramos ,&nbsp;M.I. Luppo ,&nbsp;C.A. Danon","doi":"10.1016/j.mtla.2025.102438","DOIUrl":"10.1016/j.mtla.2025.102438","url":null,"abstract":"<div><div>In this contribution the isothermal austenite-ferrite transformation in an ASTM A335 P91 (9Cr1MoVNb) steel was studied regarding the ferrite microstructure obtained after full transformation. First, using the information obtained from dilatometry experiments, the Temperature-Time-Transformation diagram was established for selected experimental conditions. The ferrite average grain size, the ferrite grain size distribution and the precipitated second phases nucleated and grown in the ferritic matrix during transformation were examined as a function of the transformation temperature in the range from 640 °C to 760 °C. For the size distribution of ferritic grains, a study was carried out using the kernel density estimation methodology. As transformation temperature increased, the average grain size showed an increasing tendency, and the ferrite grain size distribution broadened. M₂₃C₆, M₂X and MX precipitated phases were identified in fully transformed samples, but differences in morphology, size and nucleation site of these precipitates were found according to the transformation temperature, i.e. below or above the “nose” of the TTT diagram. The presence of fiber morphology of the precipitates only at low and intermediate temperatures was associated to the grain-boundary nucleation of ferrite.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"41 ","pages":"Article 102438"},"PeriodicalIF":3.0,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144115542","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":"Integrating artificial neural networks with a classical kinetic model for phase transformation predictions in steels","authors":"Mohammad Zhian Asadzadeh,&nbsp;Bernhard Bloder,&nbsp;Peter Raninger","doi":"10.1016/j.mtla.2025.102424","DOIUrl":"10.1016/j.mtla.2025.102424","url":null,"abstract":"<div><div>In this work, we present a hybrid modeling approach that integrates a classical kinetic model with neural networks to predict anisothermal metallurgical transformations. By leveraging neural networks to approximate kinetic parameters, we investigate two model architectures. The first architecture models kinetic parameters as functions of temperature and cooling rate alone, while the second extends this dependency to include phase fractions involved in the transformation. Specifically, the model addresses the decomposition of austenite into four distinct phases, each governed by ordinary differential equations. We train the model on continuous cooling data for a single steel. The results demonstrate that our approach not only accurately replicates the experimental data but also offers robust generalization capabilities within a given chemistry. Finally, we discuss the potential to extend this model to incorporate chemical composition effects and to simulate isothermal transformations.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"41 ","pages":"Article 102424"},"PeriodicalIF":3.0,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088831","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":"Origin of enhancement of oxidation resistance of near β-Ti(Al) with addition of Ta: a combinatorial experimental and DFT analysis","authors":"Shivansh Mehrotra ,&nbsp;Kushal Samanta ,&nbsp;Dibyajyoti Ghosh ,&nbsp;Surendra K. Makineni ,&nbsp;Sangeeta Santra","doi":"10.1016/j.mtla.2025.102437","DOIUrl":"10.1016/j.mtla.2025.102437","url":null,"abstract":"<div><div>The study examines the effect of alloying tantalum (Ta) with the β-Ti(Al) solid solution on oxidation resistance at the temperatures of 1000 – 1200°C in air. Addition of 7 at.% Ta to β-Ti(Al) enhanced oxidation resistance by 97%. The oxide growth followed a linear growth mechanism in the initial stage, transitioning to a parabolic growth mode as time progressed. Transition from linear to parabolic growth occurred earlier as Ta content increased in the β-Ti(Al) phase. Both Ta-free and Ta-containing β-Ti(Al) formed an external oxide zone (EOZ) consisting of Ta-free rutile (TiO₂) and alumina (α-Al₂O₃). However, the Ta-containing β-Ti(Al) also developed an additional phase, β-Ta₂O₅, in the inward region of the EOZ along with the Ta-containing TiO₂. Presence of inert yttria markers at the oxide/air interface for the Ta-free β-Ti(Al) indicated that oxygen was the primary diffusing component contributing to the oxide growth. In contrast, markers inside the EOZ in the case of Ta-containing β-Ti(Al) suggested that both oxygen and metallic ions were involved in the oxide formation. Microstructural analysis by EBSD revealed columnar and equiaxed grains of TiO₂ growing on either side of the β-Ta₂O₅ grains in EOZ, further supporting the involvement of both oxygen and metallic ions in oxide growth. The enhanced oxidation resistance of Ta-containing β-Ti(Al) was attributed to a change in the defect concentration of TiO₂ as analysed via density functional theory (DFT). A Ti-Al-Ta-O phase diagram at 1200°C was established, and a comprehensive oxidation mechanism was proposed, integrating both experimental and computational insights.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"41 ","pages":"Article 102437"},"PeriodicalIF":3.0,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144072720","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":"Swift heavy ion-induced unevenness of cationic inversion in spinel structures","authors":"Satoru Yoshioka ,&nbsp;Hiroki Tomonaka ,&nbsp;Kazuhiro Yasuda ,&nbsp;Syo Matsumura ,&nbsp;Norito Ishikawa ,&nbsp;Eiichi Kobayashi ,&nbsp;Koji Okudaira","doi":"10.1016/j.mtla.2025.102435","DOIUrl":"10.1016/j.mtla.2025.102435","url":null,"abstract":"<div><div>X-ray absorption near-edge structure (XANES) spectroscopy was used to investigate the cationic inversions induced by swift heavy ions (SHIs) in aluminate spinel structures. It was found that increasing the fluence of 340 MeV Au ions led to systematic spectral changes at both the Zn <em>L</em>₃-edge and the Al <em>K</em>-edge of ZnAl₂O₄, and at both the Mg and Al <em>K</em>-edges of MgAl₂O₄. In the theoretical XANES investigations, structural models of cationic inversion were built for the highly and slightly disordered configurations using special quasi-random structures (SQS) techniques. These theoretical investigations revealed that for each cation in the SQS models, that the spectral shapes of ZnAl₂O₄ and MgAl₂O₄ were mainly determined by the first nearest neighboring coordination, but were partly influenced by the middle-range configurations. Upon irradiation with SHIs, the experimental XANES results confirmed the generation of the highly disordered local regions that were predicted by the theoretical XANES analyses. As a result, SHI irradiation produced cationic inversions that were not observed in the non-irradiated regions of the spinel structures.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"41 ","pages":"Article 102435"},"PeriodicalIF":3.0,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070860","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}