MaterialiaPub Date : 2025-04-21DOI: 10.1016/j.mtla.2025.102416
Ying Wang, Zhao Zhang, Maiyong Zhu, Songjun Li
{"title":"Development of a bio-inspired superhydrophobic coating with self-repairing-reinforcing sustainability and robustness","authors":"Ying Wang, Zhao Zhang, Maiyong Zhu, Songjun Li","doi":"10.1016/j.mtla.2025.102416","DOIUrl":"10.1016/j.mtla.2025.102416","url":null,"abstract":"<div><div>The objective of this study is to develop a practical superhydrophobic coating with sustainable and robust superhydrophobic properties. Inspired by the natural self-repairing ability and sustainability in biological tissues, this objective was achieved by combining the self-repairing properties of proteins with the robustness of tendons into the fabrication of superhydrophobic coatings. To the end, the superhydrophobic coating was developed in the proposed form in which waterborne polyurethane was adopted to provide the protein-like self-repairing properties and the tendon-like robustness due to the bio-like and comparable composition. The result showed that the prepared coating possessed the desired sustainable and robust superhydrophobic properties, with the contact angle of up to 156.4° and the rolling angle of 4.6° The damage in the superhydrophobic properties of this coating, due to the erosion from a strong acid, can be reinstated with heating. The self-repairing-reinforcing sustainability and robustness reinforced the durability and the wear and corrosion resistance. This work shares a prospect with developing sophisticated coatings for applications and in particular practical applications.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102416"},"PeriodicalIF":3.0,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860028","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 substrate orientation on homoepitaxial β-Ga2O3 films grown by HVPE","authors":"P.N. Butenko, A.I. Pechnikov, M.E. Boiko, L.I. Guzilova, V.M. Krymov, S.V. Shapenkov, M.D. Sharkov, I.P. Soshnikov, V.I. Nikolaev","doi":"10.1016/j.mtla.2025.102415","DOIUrl":"10.1016/j.mtla.2025.102415","url":null,"abstract":"<div><div>Gallium oxide is a promising ultra-wide bandgap (UWBG) transparent oxide semiconductor. It is currently being intensively tested for power electronics devices. Epitaxial growth is mainly utilized for their fabrication. The substrate orientation plays a key role in this process, since the monoclinic low symmetrical gallium oxide phase is highly anisotropic in its physical properties. We report homoepitaxial β-Ga<sub>2</sub>O<sub>3</sub> layers, that were grown by HVPE on the native substrates of the (100) and the (<span><math><mover><mn>2</mn><mo>¯</mo></mover></math></span>01) orientations for the first time. The structural properties of these films are compared with the ones grown on conventional (010) oriented substrates. Acquired layers are single-phase and monocrystalline, but they differ significantly in crystal perfection, homogeneity of chemical composition and surface roughness. The highest growth rate has been achieved on the (<span><math><mover><mn>2</mn><mo>¯</mo></mover></math></span>01) plane, which demonstrates the potential of this orientation in device structures.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102415"},"PeriodicalIF":3.0,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855464","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}
MaterialiaPub Date : 2025-04-18DOI: 10.1016/j.mtla.2025.102414
Veronica Enblom , Rebecca Clulow , Tae-Jun Ha , Matthew D. Witman , Lauren E. Way , Sung Ju Han , Paulo H.B. Brant Carvalho , Vitalie Stavila , Jin-Yoo Suh , Martin Sahlberg , Julien O. Fadonougbo
{"title":"A combined experimental and machine learning exploration of Ti2-xZrxMnCrFeNi high entropy Laves hydrides","authors":"Veronica Enblom , Rebecca Clulow , Tae-Jun Ha , Matthew D. Witman , Lauren E. Way , Sung Ju Han , Paulo H.B. Brant Carvalho , Vitalie Stavila , Jin-Yoo Suh , Martin Sahlberg , Julien O. Fadonougbo","doi":"10.1016/j.mtla.2025.102414","DOIUrl":"10.1016/j.mtla.2025.102414","url":null,"abstract":"<div><div>A series of high entropy AB<sub>2</sub>-type Ti<sub>2-x</sub>Zr<sub>x</sub>MnCrFeNi alloys (<em>x</em> = 0.6, 0.7, 0.8, 0.9, 1.0, 1.1 and 1.2) were synthesized to investigate their potential for hydrogen storage and chemical compression. The influence of the Ti/Zr ratio was explored in terms of structural, microstructural and thermodynamic properties. The storage capacity together with the reaction enthalpy and entropy changes of the synthesized high entropy alloys were compared to predictions from Machine Learning (ML) to investigate changes in these properties across the explored composition space. The results revealed that a decreasing Zr content consistently lowered the hydride formation enthalpy and increased the plateau pressure from 8 to >90 bar H<sub>2</sub> at 25 °C, in good agreement with ML predictions. Selected compositions (<em>x</em> = 1.0 and 1.2) demonstrated reversible hydrogen storage capability over 150 cycles, with capacities of 1.34–1.40 wt % H<sub>2</sub> and remarkable reaction kinetics (<4 min) at ambient temperature. These experimental and computational findings highlight the potential of this Laves-HEA system as tuneable, stable, and cost-effective materials suitable for long-term operations in stationary hydrogen storage and compression applications.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102414"},"PeriodicalIF":3.0,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143881303","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":"Pd-decorated WO3 thin films deposited by DC reactive magnetron sputtering for highly selective NO gas with temperature-dependent tunable p-n switching","authors":"Charu Dwivedi , Stuti Srivastava , Abhijeet Dhanda , Preetam Singh","doi":"10.1016/j.mtla.2025.102413","DOIUrl":"10.1016/j.mtla.2025.102413","url":null,"abstract":"<div><div>This article reports on room temperature reactive magnetron sputtered Pd-decorated WO<sub>3</sub> (Pd/WO<sub>3</sub>) thin films for NO gas sensing. The structure, morphology, and other physical properties of the sample were studied by XRD, FESEM, and XPS. NO gas sensing performance was evaluated across a range of operating temperatures (50–250 °C), and it was found that the sensor response was highly temperature dependent with p-n transition. Pd/WO<sub>3</sub> thin film exhibited a typical p-type response to NO gas at lower temperatures (50–175 °C) but transitioned to an unusual n-type response at temperatures above that. Additionally, the ideal operating temperature for the p-type behavior was identified as 75 °C, whereas for the n-type behavior, it was 200 °C. The Pd/WO<sub>3</sub>, exhibiting p-type behavior, began responding to 50 ppm NO gas at a low temperature of 50 °C, achieving a sensor response (R<sub>g</sub>/R<sub>a</sub>) ∼ 8. The response peaked at ∼ 18 at 75 °C with a response and recovery time of ∼ 28 s and ∼ 88 s, respectively. In contrast, the n-type behavior showed a maximum sensor response (R<sub>a</sub>/R<sub>g</sub>) of ∼ 8.5 at 200 °C, with response and recovery times of ∼ 24 s and ∼ 12 s, respectively. This temperature-driven transition from p- to n-type behavior demonstrated high selectivity and stability for NO gas. The phenomenon was attributed to the formation of an inversion layer on the Pd/WO<sub>3</sub> surface at lower temperatures caused by the adsorption of excess oxygen from the air.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102413"},"PeriodicalIF":3.0,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143851996","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}
MaterialiaPub Date : 2025-04-17DOI: 10.1016/j.mtla.2025.102412
Shuntaro Ida , Eri Nakagawa , Viola Paul , Takahito Ohmura , Kyosuke Yoshimi
{"title":"Enhanced deformability of TiC in Mo-Ti-C ternary system by off-stoichiometry","authors":"Shuntaro Ida , Eri Nakagawa , Viola Paul , Takahito Ohmura , Kyosuke Yoshimi","doi":"10.1016/j.mtla.2025.102412","DOIUrl":"10.1016/j.mtla.2025.102412","url":null,"abstract":"<div><div>The deformation behavior of B1-type stoichiometric TiC and off-stoichiometric (Ti<sub>0.96</sub>, Mo<sub>0.04</sub>)C<sub>0.67</sub> was investigated by micropillar compression test utilizing an in situ scanning electron microscope. The yield stress of (Ti<sub>0.96</sub>, Mo<sub>0.04</sub>)C<sub>0.67</sub> was found to be sufficiently lower than that of the stoichiometric TiC. In addition, the {001}<1<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0>, {110}<1<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0>, and {111}<1<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0> slip systems were identified to be active during the plastic deformation of (Ti<sub>0.96</sub>, Mo<sub>0.04</sub>)C<sub>0.67</sub>. The critical resolved shear stresses of these slip systems decreased in the following order: {110}<1<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0> (5.6 GPa), {001}<1<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0> (5.0 GPa), and {111}<1<span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span>0> (4.4 GPa). In contrast to the stoichiometric TiC, which underwent complete fracture at a relatively early stage of deformation, (Ti<sub>0.96</sub>, Mo<sub>0.04</sub>)C<sub>0.67</sub> deformed under >10 % plastic strain without fracturing, with crack preferentially initiating along the {001} plane. The findings demonstrate that the off-stoichiometry of (Ti<sub>0.96</sub>, Mo<sub>0.04</sub>)C<sub>0.67</sub> improves plastic deformability and has a suppressive effect on crack propagation. The enhanced deformability may be attributed to the significantly reduced shear modulus caused by off-stoichiometry.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102412"},"PeriodicalIF":3.0,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143859989","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}
MaterialiaPub Date : 2025-04-15DOI: 10.1016/j.mtla.2025.102404
C.M. Parks , J. Kuipers , A.B. Phillion
{"title":"Uncovering the mechanism behind a two-step infiltration during layered wide-gap brazing of a Ni-base superalloy using a B-Containing filler metal","authors":"C.M. Parks , J. Kuipers , A.B. Phillion","doi":"10.1016/j.mtla.2025.102404","DOIUrl":"10.1016/j.mtla.2025.102404","url":null,"abstract":"<div><div>This study investigates the mechanisms resulting in a two-step infiltration process during layered wide-gap brazing of the MAR-M247/BNi-9 system for repair of high-temperature Ni superalloy components. Differential scanning calorimetry was coupled with electron microscopy and 3D X-ray microscopy to better quantify the two-step infiltration process. It was found that significant diffusional homogenization between braze alloy and MAR-M247 particles, occurred prior to liquation. As a result, only about 15% of the braze melted during Stage 1 of layered wide-gap brazing as compared to approximately 49% when only the melting of pure BNi-9 was considered for the same temperature interval. Stage 1 melting began at the ternary eutectic transformation temperature, 1053 °C, with the complete melting of Ni<sub>3</sub>B and partial melting of <span><math><mi>γ</mi></math></span>-Ni. Upon liquation, the braze liquid readily infiltrated the MAR-M247 skeleton via capillary action. As a result of rapid boron diffusion into the MAR-M247 skeleton from the infiltrating braze, extensive base metal dissolution and eventual diffusional solidification occurred, with Stage 1 infiltration terminating at 1073 °C. Stage 2 melting and infiltration began at 1102 °C with the re-melting of the partially infiltrated braze as well as melting of remaining un-infiltrated braze atop the layered brazement, with near complete infiltration attained by 1150 °C. Further, it was found that infiltration behavior varied between Stages 1 and 2, with 58% and 40% of the MAR-M247 skeleton infiltrated after 120 s and 228 s, respectively. Kinetic differences were likely influenced by: (i) transition from rapid to sluggish skeletal dissolution regimes, and an (ii) alteration of the MAR-M247 pore network structure</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102404"},"PeriodicalIF":3.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838385","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}
MaterialiaPub Date : 2025-04-12DOI: 10.1016/j.mtla.2025.102410
Christopher Tandoc , Liang Qi , Yong-Jie Hu
{"title":"A bond-based model for accurate prediction of lattice parameters of bcc solid solution alloys","authors":"Christopher Tandoc , Liang Qi , Yong-Jie Hu","doi":"10.1016/j.mtla.2025.102410","DOIUrl":"10.1016/j.mtla.2025.102410","url":null,"abstract":"<div><div>The lattice parameter is an important material feature for solid solution alloys, a class of materials which includes the emerging high-entropy alloy (HEA) family. The Vegard's law is a typical method to estimate lattice parameters of random solid solutions and thus has been widely used by the HEA community. However, in this work, we show that the Vegard's law becomes inaccurate in predicting the lattice parameters of solid solution alloys featuring a body-centered-cubic (bcc) lattice, including the refractory high-entropy alloys (RHEAs). The inaccuracy of the Vegard's law originates from its inability to account for the charge transfer that arises from heteroelement atomic bonding, which alters the volumes of the atoms from their pure-element states. To address this limitation, a new physical model based on the atomic bond lengths derived from binary ordered intermetallic structures is proposed for accurate lattice parameter prediction by effectively capturing the charge transfer effect. This new model is validated by comparing its predictions to lattice parameters calculated by first-principles calculations for 292 alloy compositions including twelve different metal elements. Notably, our new model largely outperforms the Vegard's law in terms of prediction accuracy while maintaining a similar level of simplicity, free of fitting or any empirical parameters for making predictions. Specifically, the model produces a root mean squared error (RMSE) of 0.006 Å which is less than half that of the Vegard's law (RMSE = 0.015 Å).</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102410"},"PeriodicalIF":3.0,"publicationDate":"2025-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850153","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":"Whitlockite can be a substrate for apatite growth in simulated body fluid","authors":"Luke Hunter , Ryo Torii , Gaetano Burriesci , Sergio Bertazzo","doi":"10.1016/j.mtla.2025.102409","DOIUrl":"10.1016/j.mtla.2025.102409","url":null,"abstract":"<div><div>Calcium phosphates are the predominant type of mineral in humans. They are essential for the formation of bones and teeth but can also deposit in diseased tissues. Whitlockite, a calcium phosphate mineral, is almost exclusively found in diseased calcified lesions. Despite its significance, the crystal growth mechanisms of whitlockite under physiological conditions are poorly understood. To investigate this, we conducted a constant composition experiment and applied a growth kinetics model to study the growth of whitlockite and hydroxyapatite nanoparticles in simulated body fluid. Contrary to our expectations, whitlockite did not dissolve in the undersaturated simulated body fluid. Instead, whitlockite nanoparticles served as a substrate for the formation of poorly-crystalline apatite, resulting in increased particle size. Our findings may help explain the colocalisation of whitlockite particles and large poorly-crystalline apatite lesions in human diseases.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102409"},"PeriodicalIF":3.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848378","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}
MaterialiaPub Date : 2025-04-10DOI: 10.1016/j.mtla.2025.102405
Anassya Raad, Nathalie Bergeon, Nathalie Mangelinck-Noël, Fatima L. Mota
{"title":"Defect dynamics during the faceted growth of salol","authors":"Anassya Raad, Nathalie Bergeon, Nathalie Mangelinck-Noël, Fatima L. Mota","doi":"10.1016/j.mtla.2025.102405","DOIUrl":"10.1016/j.mtla.2025.102405","url":null,"abstract":"<div><div>Understanding faceted growth mechanisms is of major interest in materials science, as it is encountered during the formation of most semiconductors and oxides. Defects appear frequently in solidification processes, associated to the presence of impurities, dislocations, grain boundaries or stresses. Studying the formation and dynamics of these defects is essential, as they directly influence material properties such as strength, conductivity, and optical behavior. Directional solidification of thin samples of salol, an organic transparent material, were conducted to investigate the evolution of a faceted solid-liquid interface. Different conditions, including thermal gradients of 1 and 2 K/mm and pulling velocities ranging from 2.5 to 10 µm/s, were applied, allowing to characterize the resulting facet dynamics. For the highest thermal gradient, increasing the pulling velocity resulted in a decrease in the facet tip angle, whereas for the lowest gradient, the angles remained similar across all pulling velocities. These observations are influenced by the initial conditions, such as variations in seed crystal orientation and quality, which affect the evolution of the solidification front. The complex dynamics of the interface reveals the formation and evolution of several defects at different scales, including bubbles, growth striations, facet splits and distortions, and twin boundaries. In situ observations allows a detailed analysis of defect origins. Bubbles, systematically observed, are most likely attributed to nitrogen contamination in melt during sample filling. The stress-induced dislocation movement has been identified as one of the mechanisms for defect formation. Additionally, crystal misorientation leads to stress redistribution, which increases the likelihood of defects.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102405"},"PeriodicalIF":3.0,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829783","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}
MaterialiaPub Date : 2025-04-07DOI: 10.1016/j.mtla.2025.102408
Ethen Thomas Lund , Sungwoo Sohn , Axel van de Walle , Stefano Curtarolo , Douglas Hofmann , Jan Schroers
{"title":"Tension-compression asymmetry of shear band stability in bulk metallic glasses","authors":"Ethen Thomas Lund , Sungwoo Sohn , Axel van de Walle , Stefano Curtarolo , Douglas Hofmann , Jan Schroers","doi":"10.1016/j.mtla.2025.102408","DOIUrl":"10.1016/j.mtla.2025.102408","url":null,"abstract":"<div><div>Shear band stability is measured for a Zr-based bulk metallic glass in compressive bending and compared with previous results in tension. Compressive failure is induced via bending of trapezoidal cross-section beams. This characterization is done at multiple fictive temperatures and compared with results in tension, revealing a compression-tension asymmetry in shear banding stability. Stability, indicated here as the ability to resist catastrophic shear bands in favor of stable, arrested shear bands, is higher in compression than tension at all measured fictive temperatures. This asymmetry suggests that shear band propagation is different in tension and compression, and possible mechanisms underlying this difference are suggested. Additionally, this stability measurement is shown to be consistent in uniaxial compression testing, demonstrating its potential for predicting a brittle vs. ductile response in different loading modes of bulk metallic glasses.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"40 ","pages":"Article 102408"},"PeriodicalIF":3.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143807895","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}