Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102201
{"title":"Corinne E. Packard, 2025 Acta Materialia Silver Medal Award Recipient","authors":"","doi":"10.1016/j.mtla.2024.102201","DOIUrl":"10.1016/j.mtla.2024.102201","url":null,"abstract":"","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102201"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143169148","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102202
{"title":"Dr. Richard J. Spontak, 2025 recipient of the Acta Materialia Inc. Hollomon Award for Materials and Society","authors":"","doi":"10.1016/j.mtla.2024.102202","DOIUrl":"10.1016/j.mtla.2024.102202","url":null,"abstract":"","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102202"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134601","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102257
{"title":"Recipients of the 2023 Acta Materialia, inc. student awards","authors":"","doi":"10.1016/j.mtla.2024.102257","DOIUrl":"10.1016/j.mtla.2024.102257","url":null,"abstract":"","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102257"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134602","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102299
Yi Wang , Xingru Tan , Saro San , Shanshan Hu , Michael C. Gao
In this work, we have introduced an optimized Debye-Grüneisen model that revolutionizes the determination of the Debye temperature and Grüneisen parameters. Unlike conventional methods, our model requires only the 0 K energy volume data for a material as input, eliminating the need to determine the bulk modulus and its pressure derivative, which often pose challenges due to numerical uncertainties. This unique feature sets our model apart from existing approaches and streamlines the process, enabling accurate predictions of thermal expansion behavior across various materials. To demonstrate its effectiveness, we showcase its excellent agreement with measured coefficients of thermal expansion (CTE) for the nickel-cobalt-chromium-aluminum-yttrium (Ni-Co-Cr-Al-Y) bond-coating system. Additionally, we apply our approach by conducting a high-throughput search for potential bond-coating materials among 90,000 compositions within the aluminum-cobalt-chromium-iron-nickel (Al-Co-Cr-Fe-Ni) system. From this extensive search, four compositions are synthesized, and the measured CTE values agree very well with theoretical predictions, hence validating our approach. The current optimized Debye-Grüneisen model combined with Density Functional Theory (DFT)-based thermodynamic database enables reliable and efficient high-throughput calculations of CTE of of a material without expensive phonon calculations.
{"title":"Enhancing the accuracy and generality of the Debye–Grüneisen Model: Optimizing the volume dependence for accurate predictions across varied compositions","authors":"Yi Wang , Xingru Tan , Saro San , Shanshan Hu , Michael C. Gao","doi":"10.1016/j.mtla.2024.102299","DOIUrl":"10.1016/j.mtla.2024.102299","url":null,"abstract":"<div><div>In this work, we have introduced an optimized Debye-Grüneisen model that revolutionizes the determination of the Debye temperature and Grüneisen parameters. Unlike conventional methods, our model requires only the 0 K energy volume data for a material as input, eliminating the need to determine the bulk modulus and its pressure derivative, which often pose challenges due to numerical uncertainties. This unique feature sets our model apart from existing approaches and streamlines the process, enabling accurate predictions of thermal expansion behavior across various materials. To demonstrate its effectiveness, we showcase its excellent agreement with measured coefficients of thermal expansion (CTE) for the nickel-cobalt-chromium-aluminum-yttrium (Ni-Co-Cr-Al-Y) bond-coating system. Additionally, we apply our approach by conducting a high-throughput search for potential bond-coating materials among 90,000 compositions within the aluminum-cobalt-chromium-iron-nickel (Al-Co-Cr-Fe-Ni) system. From this extensive search, four compositions are synthesized, and the measured CTE values agree very well with theoretical predictions, hence validating our approach. The current optimized Debye-Grüneisen model combined with Density Functional Theory (DFT)-based thermodynamic database enables reliable and efficient high-throughput calculations of CTE of of a material without expensive phonon calculations.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102299"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143168111","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102197
{"title":"Elizabeth Cosgriff-Hernández, 2025 Acta Materialia Mary Fortune Global Diversity Medal Recipient","authors":"","doi":"10.1016/j.mtla.2024.102197","DOIUrl":"10.1016/j.mtla.2024.102197","url":null,"abstract":"","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102197"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143127964","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102199
{"title":"Frederick J. Schoen, 2025 Acta Biomaterialia Gold Medal Award Recipient","authors":"","doi":"10.1016/j.mtla.2024.102199","DOIUrl":"10.1016/j.mtla.2024.102199","url":null,"abstract":"","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102199"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143127966","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102200
{"title":"Marc André Meyers, 2025 Acta Materialia Gold Medal Award Recipient","authors":"","doi":"10.1016/j.mtla.2024.102200","DOIUrl":"10.1016/j.mtla.2024.102200","url":null,"abstract":"","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102200"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143134600","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102303
L.F. Mendivil , A. Durán , F. Brown
We construct a YbFeO3-YbCrO3-YbMnO3 pseudo-ternary phase diagram that illustrates the different equilibrium phases regions where orthorhombic, hexagonal, and orthorhombic, and hexagonal phases at room temperature coexist. Thirty-three Yb:Fe:Cr:Mn molar ratio compositions were designed using solid-state reactions. They were characterized by X-ray diffraction. Poor miscibility of the hexagonal single phase in a small region of the YbMnO3-YbFeO3 pseudo-binary phase was found. The maximum miscibility of Mn into the orthorhombic phase is found in the YbFe0.50Cr0.25Mn0.25O3, YbFe0.375Cr0.375Mn0.25O3, and YbFe0.25Cr0.50Mn0.25O3 intermediate ternary ceramic compound. Beyond this concentration of Mn, the YbFeO3 - YbCrO3 - YbMnO3 pseudo-ternary system breaks down into mixing hexagonal and orthorhombic phases. Once the different phases were established; the crystalline structure, microstructure as well as optical and dielectric properties were investigated in seven selected compositions in the orthorhombic zone, where the total Fe – Cr and the partial Mn miscibility tunes the cell volume. SEM images reveal grains coalescence, indicating incipient fusion in the YbFeO3 sample. As Cr and Mn increase, the sign of incipient fusion and grain size decreases. The dielectric properties were evaluated as a function of temperature, and through these quantities it is found that the electrical conductivity increases for the intermediate ceramic compound. This fact agrees with the optic band gap, Eg, which decreases for these intermediate compounds. According to the dielectric study, we found that the decrease in the Eg is mainly associated with charge carriers polarons (∼0.20–0.25 eV) at low-temperature and oxygen vacancies (0.55–0.61 eV) at high temperatures.
{"title":"A newly developed YbFeO3-YbCrO3-YbMnO3 pseudo-ternary phase diagram: Crystal structure, optical properties, and dielectric properties of seven selected orthorhombic ternary solid solution compounds","authors":"L.F. Mendivil , A. Durán , F. Brown","doi":"10.1016/j.mtla.2024.102303","DOIUrl":"10.1016/j.mtla.2024.102303","url":null,"abstract":"<div><div>We construct a YbFeO<sub>3</sub>-YbCrO<sub>3</sub>-YbMnO<sub>3</sub> pseudo-ternary phase diagram that illustrates the different equilibrium phases regions where orthorhombic, hexagonal, and orthorhombic, and hexagonal phases at room temperature coexist. Thirty-three Yb:Fe:Cr:Mn molar ratio compositions were designed using solid-state reactions. They were characterized by X-ray diffraction. Poor miscibility of the hexagonal single phase in a small region of the YbMnO<sub>3</sub>-YbFeO<sub>3</sub> pseudo-binary phase was found. The maximum miscibility of Mn into the orthorhombic phase is found in the YbFe<sub>0.</sub><sub>50</sub>Cr<sub>0.</sub><sub>25</sub>Mn<sub>0.</sub><sub>25</sub>O<sub>3</sub>, YbFe<sub>0.</sub><sub>375</sub>Cr<sub>0.</sub><sub>375</sub>Mn<sub>0.</sub><sub>25</sub>O<sub>3</sub>, and YbFe<sub>0.</sub><sub>25</sub>Cr<sub>0.</sub><sub>50</sub>Mn<sub>0.</sub><sub>25</sub>O<sub>3</sub> intermediate ternary ceramic compound. Beyond this concentration of Mn, the YbFeO<sub>3</sub> - YbCrO<sub>3</sub> - YbMnO<sub>3</sub> pseudo-ternary system breaks down into mixing hexagonal and orthorhombic phases. Once the different phases were established; the crystalline structure, microstructure as well as optical and dielectric properties were investigated in seven selected compositions in the orthorhombic zone, where the total Fe – Cr and the partial Mn miscibility tunes the cell volume. SEM images reveal grains coalescence, indicating incipient fusion in the YbFeO<sub>3</sub> sample. As Cr and Mn increase, the sign of incipient fusion and grain size decreases. The dielectric properties were evaluated as a function of temperature, and through these quantities it is found that the electrical conductivity increases for the intermediate ceramic compound. This fact agrees with the optic band gap, E<sub>g</sub>, which decreases for these intermediate compounds. According to the dielectric study, we found that the decrease in the E<sub>g</sub> is mainly associated with charge carriers polarons (∼0.20–0.25 eV) at low-temperature and oxygen vacancies (0.55–0.61 eV) at high temperatures.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102303"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143168110","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}
Pub Date : 2024-12-01DOI: 10.1016/j.mtla.2024.102198
{"title":"Karen L. Christman, 2025 Acta Biomaterialia Silver Medal Award Recipient","authors":"","doi":"10.1016/j.mtla.2024.102198","DOIUrl":"10.1016/j.mtla.2024.102198","url":null,"abstract":"","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102198"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143127965","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}
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