Journal of the American Ceramic Society最新文献

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Advancing damage-free machining of KDP: A comprehensive review
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-26 DOI: 10.1111/jace.20341
Shengyao Yang, Liangchi Zhang
{"title":"Advancing damage-free machining of KDP: A comprehensive review","authors":"Shengyao Yang,&nbsp;Liangchi Zhang","doi":"10.1111/jace.20341","DOIUrl":"https://doi.org/10.1111/jace.20341","url":null,"abstract":"<p>The series of successful inertial confinement fusion ignitions from December 2022 to December 2023 marked a groundbreaking milestone in humanity's pursuit for a new, inexhaustible source of clean energy. At the core of this ignition system lies the potassium dihydrogen phosphate (KDP) crystals, playing an indispensable role. However, ensuring the reliable, long-term application of KDP components relies heavily on their quality, necessitating finishes that are free from damage or nearly so. Manufacturing KDP components poses significant challenges due to their fragility, unstable microstructure, sensitivity to environmental factors and complex mechanical behavior. To address the quest for damage-free manufacturing, interdisciplinary investigations have been commenced, incorporating theoretical analyses, atomistic simulations, and experimental trials. The success of the ignitions has catalyzed intensified research efforts aimed at achieving damage-free machining of KDP components, drawing significant attention. This review is dedicated to examining existing studies on machining-induced damage mechanisms and exploring potential pathways for achieving damage-free machining of KDP crystals.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of vacuum pre-sintering temperature on the Eu2+–Dy3+ co-doped SrAl2O4 ceramics with persistent luminescence
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-26 DOI: 10.1111/jace.20337
Tingsong Li, Qiang Liu, Chen Hu, Yanbin Wang, Zhenzhen Zhou, Jiang Li
{"title":"Influence of vacuum pre-sintering temperature on the Eu2+–Dy3+ co-doped SrAl2O4 ceramics with persistent luminescence","authors":"Tingsong Li,&nbsp;Qiang Liu,&nbsp;Chen Hu,&nbsp;Yanbin Wang,&nbsp;Zhenzhen Zhou,&nbsp;Jiang Li","doi":"10.1111/jace.20337","DOIUrl":"https://doi.org/10.1111/jace.20337","url":null,"abstract":"<p>(Sr<sub>0.97</sub>Eu<sub>0.01</sub>Dy<sub>0.02</sub>)Al<sub>2</sub>O<sub>4</sub> persistent luminescence (PersL) ceramics were fabricated by solid-state reactive pre-sintering in vacuum combined with hot isostatic pressing (HIP) post-treatment adding H<sub>3</sub>BO<sub>3</sub> as a sintering additive. The influence of pre-sintering temperature on the phase composition, microstructure, and PersL performance of (Sr<sub>0.97</sub>Eu<sub>0.01</sub>Dy<sub>0.02</sub>)Al<sub>2</sub>O<sub>4</sub> ceramics was investigated. The results showed that optimum persistent performance was obtained by the ceramics prepared by vacuum pre-sintered at 1600°C for 3 h and HIP post-treated at 1400°C for 3 h under 200 MPa in Ar. The persistent initial luminescence intensity exceeded 9200 mcd/m<sup>2</sup> after 5 min when the optimum sample was simulated by the daylight irradiation of 1000 lx, and the persistent emission decay time was longer than 14 h. The trap depth was calculated using two methods, and the results showed that the ceramics prepared at pre-sintering temperature of 1600°C had the highest trap depth.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improved ablation resistance of Csf/SiBCN composites densified by PIP process: Ablation behavior and damage mechanism
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-26 DOI: 10.1111/jace.20335
Wenhao Dou, Bingzhu Wang, Daxin Li, Haobo Jiang, Xiaoliang Sun, Ling Li, Yingying Wang, Zhihua Yang, Dechang Jia, Yu Zhou
{"title":"Improved ablation resistance of Csf/SiBCN composites densified by PIP process: Ablation behavior and damage mechanism","authors":"Wenhao Dou,&nbsp;Bingzhu Wang,&nbsp;Daxin Li,&nbsp;Haobo Jiang,&nbsp;Xiaoliang Sun,&nbsp;Ling Li,&nbsp;Yingying Wang,&nbsp;Zhihua Yang,&nbsp;Dechang Jia,&nbsp;Yu Zhou","doi":"10.1111/jace.20335","DOIUrl":"https://doi.org/10.1111/jace.20335","url":null,"abstract":"<p>To enhance the ablation resistance of porous C<sub>sf</sub>/MA–SiBCN composites, the polymer infiltration and pyrolysis (PIP) process is adopted to obtain layered C<sub>sf</sub>/SiBCN composites containing MA–SiBCN and PDCs–SiBCN. After ablation for 10 s, the ablative layer fails to remain on the C<sub>sf</sub>/MA–SiBCN surface with mass ablation rate of 0.062 g/s and linear ablation rate of 0.208 mm/s, while the dense C<sub>sf</sub>/SiBCN surface is covered by a dense and stable ablative layer mainly consisting of amorphous SiO<sub>2</sub> glassy phase due to the synergistic ablation effect of MA–SiBCN and PDCs–SiBCN, which could resist the intense scour by ablation flame and prevent internal corrosion, and thus the ablation resistance improves with a 37% decrease in mass ablation rate (0.039 g/s) and an 18% decrease in linear ablation rate (0.171 mm/s), respectively.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ab initio investigation of the thermophysical properties of barium orthovanadate
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-25 DOI: 10.1111/jace.20322
Ningxi Yang, Meilin Yuan, Jiali Yang, Xianyong Ding, Haoran Wei, Chengyong Zhong, Dongmei Li, Xuewei Lv, Peng Yu, Xin Jin
{"title":"Ab initio investigation of the thermophysical properties of barium orthovanadate","authors":"Ningxi Yang,&nbsp;Meilin Yuan,&nbsp;Jiali Yang,&nbsp;Xianyong Ding,&nbsp;Haoran Wei,&nbsp;Chengyong Zhong,&nbsp;Dongmei Li,&nbsp;Xuewei Lv,&nbsp;Peng Yu,&nbsp;Xin Jin","doi":"10.1111/jace.20322","DOIUrl":"https://doi.org/10.1111/jace.20322","url":null,"abstract":"<p>Metal vanadates have garnered widespread attention across various scientific fields due to their exceptional performance. In this work, we investigate the lattice dynamics and thermophysical properties of barium orthovanadate (Ba<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) using first-principles calculations. We provide reliable thermodynamic data, including entropy and heat capacity across a broad temperature range. The complex crystal structure of Ba<sub>3</sub>V<sub>2</sub>O<sub>8</sub> leads to strong phonon anharmonicity, which greatly suppresses the contribution of propagative phonons to the lattice thermal conductivity (<i>κ<sub>L</sub></i>). Moreover, utilizing the unified theory, we find that the significant contribution of coherent phonon transport makes <i>κ<sub>L</sub></i> exhibit low-temperature dependence. Notably, coherent phonons along the <i>a</i>-axis begin to exceed the contribution of propagative phonons at around 400 K and reach a high proportion of 71.9% at 800 K, leading to an anomalous change in <i>κ<sub>L</sub></i>. This research emphasizes the significant impact of strong anharmonicity and coherent phonon channels on the thermal transport process in Ba<sub>3</sub>V<sub>2</sub>O<sub>8</sub>, providing a crucial perspective for predicting and understanding the thermophysical properties of metal vanadates and contributing to the further regulation of the thermal transport characteristics.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119043","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CRN synthesis mechanism of high sinterability MgAlON powder for fast fabrication of highly transparent ceramics
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-25 DOI: 10.1111/jace.20325
Xiaotian Yu, Haoran Guo, Yingchun Shan, Yanbin Han, Xiaoguang Han, Jiujun Xu, Jiangtao Li
{"title":"CRN synthesis mechanism of high sinterability MgAlON powder for fast fabrication of highly transparent ceramics","authors":"Xiaotian Yu,&nbsp;Haoran Guo,&nbsp;Yingchun Shan,&nbsp;Yanbin Han,&nbsp;Xiaoguang Han,&nbsp;Jiujun Xu,&nbsp;Jiangtao Li","doi":"10.1111/jace.20325","DOIUrl":"https://doi.org/10.1111/jace.20325","url":null,"abstract":"<p>Utilizing γ-Al<sub>2</sub>O<sub>3</sub>, MgO, and black carbon powders as starting materials, single-phase magnesium aluminum oxynitride (MgAlON) powders with excellent sinterability were successfully synthesized by carbothermal reduction and nitridation (CRN) method, and the CRN synthesis mechanism was investigated through analyzing phase assemblage and morphology of the powders during heating. As heating to 1700°C, single-phase MgAlON is obtained, while its O/N ratio can be adjusted by controlling the composition of starting mixture and the CRN process. The MgAlON powders with O/N ratio of 9.52–11.39 (using the mixture with 8.6 wt.% MgO and 5.2 wt.% carbon black, and prepared at 1700°C for 90–150 min or 1720°C for 120 min) exhibit high sinterability. These powders were successfully fast pressureless sintered into ceramics with high transmittance (&gt;80%@3750 nm) at 1880°C for 2.5 h. During the heating process for preparing MgAlON powder, magnesium aluminate spinel (MAS) is first formed at &lt;1500°C, then at 1500–1600°C, along with formation of AlN via CRN and its instantaneous solid solution with MAS, MgAlON is obtained. The phase assemblage and morphology comparison between the Al<sub>2</sub>O<sub>3</sub>–MgO–C, Al<sub>2</sub>O<sub>3</sub>–MgO, and Al<sub>2</sub>O<sub>3</sub>–C powders during heating indicates that carbon and MAS act in concert to inhibit the growth of Al<sub>2</sub>O<sub>3</sub>, which contribute to the rapid formation MgAlON and high sinterability of prepared MgAlON powders.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143118996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Toward germanate ceramics Li2AGeO4:Nd3+ (A = Zn, Mg) emitting near-infrared radiation
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-25 DOI: 10.1111/jace.20334
Joanna Pisarska, Nikola Bednarska-Adam, Marta Kuwik, Tomasz Goryczka, Bogusław Macalik, Wojciech A. Pisarski
{"title":"Toward germanate ceramics Li2AGeO4:Nd3+ (A = Zn, Mg) emitting near-infrared radiation","authors":"Joanna Pisarska,&nbsp;Nikola Bednarska-Adam,&nbsp;Marta Kuwik,&nbsp;Tomasz Goryczka,&nbsp;Bogusław Macalik,&nbsp;Wojciech A. Pisarski","doi":"10.1111/jace.20334","DOIUrl":"https://doi.org/10.1111/jace.20334","url":null,"abstract":"<p>Germanate ceramics Li<sub>2</sub>ZnGeO<sub>4</sub>:Nd<sup>3+</sup> and Li<sub>2</sub>MgGeO<sub>4</sub>:Nd<sup>3+</sup> have been studied for near-infrared (IR) luminescence applications. The phase identification showed that both ceramic compounds crystallized in a monoclinic lattice, characteristic of a broad family of germanate olivines. Near-IR luminescence spectra have been analyzed for Li<sub>2</sub>AGeO<sub>4</sub>:Nd<sup>3+</sup> (A = Zn, Mg) under different excitation wavelengths. Near-IR emission bands observed in the second biological window correspond to the ceramic host as well as <sup>4</sup>F<sub>3/2</sub> → <sup>4</sup>I<sub>11/2</sub> and <sup>4</sup>F<sub>3/2</sub> → <sup>4</sup>I<sub>13/2</sub> transitions of Nd<sup>3+</sup> ions, respectively. Based on luminescence spectra and their decays, several spectroscopic parameters for un-doped and Nd<sup>3+</sup>-doped ceramic samples were determined. The experimental results for germanate olivines containing Nd<sup>3+</sup> ions suggest that ceramic host gives important contribution to near-IR luminescence at second biological window.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143119045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cold sintering of geopolymer powders
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-23 DOI: 10.1111/jace.20331
Lorenzo Lattanzi, Alberto Conte, Augusto Sin, Javier Mena Garcia, Clive A. Randall, Paolo Colombo
{"title":"Cold sintering of geopolymer powders","authors":"Lorenzo Lattanzi,&nbsp;Alberto Conte,&nbsp;Augusto Sin,&nbsp;Javier Mena Garcia,&nbsp;Clive A. Randall,&nbsp;Paolo Colombo","doi":"10.1111/jace.20331","DOIUrl":"https://doi.org/10.1111/jace.20331","url":null,"abstract":"<p>Geopolymers (GP) represent a promising class of inorganic materials with diverse applications due to their properties, including high temperature resistance and strong interfacial bonding ability. They are produced through alkali activation of aluminosilicate sources, such as metakaolin or fly ashes. Despite their attractive characteristics, conventional casting methods for GP production often result in prolonged curing times and inferior mechanical properties to OPC or other benchmark materials. In this study, we investigated the feasibility of rapidly densifying GP matrices using cold sintering technology (CSP), a novel approach previously employed in ceramic systems. Through CSP, it was possible to obtain a dense body starting from GP sodium-based powder with optimal moisture content (10% wt.) under mild isostatic pressure (70 MPa) and moderate temperature (150°C) conditions, with a short duration process (10 min). The resulting products exhibited chemical stability (high resistance to boiling test), high density (&gt; 90% theoretical density) and good mechanical properties (flexural strength equal to 30 MPa and compressive strength over 200 MPa) without requiring additional thermal treatments. SEM, EDS and NMR studies indicated that the predominant densification mechanism was likely to be homogeneous dissolutions and precipitation of the material, consistent with pressure solution creep. Dilatometric tests were performed to track the densification process in real-time and to determine the activation energy, which revealed an exceptionally low value for the system (21.7 kJ/mol). Our results demonstrate the potential of CSP as a rapid and efficient method for producing high-quality GP-based components, paving the way for their broader application in various fields.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1111/jace.20331","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143118256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dielectric behavior of point defects on ferroelectric films for different substrate strains by phase–field simulations
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-22 DOI: 10.1111/jace.20339
Yu Song, Jing Wang, Houbing Huang
{"title":"Dielectric behavior of point defects on ferroelectric films for different substrate strains by phase–field simulations","authors":"Yu Song,&nbsp;Jing Wang,&nbsp;Houbing Huang","doi":"10.1111/jace.20339","DOIUrl":"https://doi.org/10.1111/jace.20339","url":null,"abstract":"<p>Relaxor films constructed by doping point defects are widely applied in various fields, including nanoelectromechanical systems, capacitive energy storage, and pyroelectric energy conversion. Despite their broad utility, the underlying mechanisms by which point defects affect the dielectric properties of these films under varying substrate strains remain insufficiently understood. This work employs a phase–field model to explore the influence of point defects on the domain structure and dielectric properties of BaTiO<sub>3</sub> and Pb(Zr,Ti)O<sub>3</sub> films, with a comparative analysis of their respective responses to different substrate strains. Our results reveal that the domain sizes in both BaTiO<sub>3</sub> and Pb(Zr,Ti)O<sub>3</sub> films decrease with doping, leading to a transition into a relaxor state. Notably, Pb(Zr,Ti)O<sub>3</sub> exhibits a dielectric peak at a lower doping concentration and a more pronounced reduction in dielectric constant, which can be attributed to its smaller domain size and greater susceptibility to phase transitions. As substrate strain increases from −4% to 4%, the dielectric constant initially rises, peaking at zero strain. Moreover, compared with Pb(Zr,Ti)O<sub>3</sub>, the BaTiO<sub>3</sub> relaxor films display a higher dielectric constant, due to a larger proportion of noninitial phases and a more uniform phase structure. These findings provide valuable theoretical insights into the manipulation of substrate strain as a strategy to tailor the dielectric properties of relaxor films.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143117784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Apparent fracture toughness estimation of additively manufactured alumina from as-printed chevron-notched test specimens
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-20 DOI: 10.1111/jace.20327
Patrick L. Snarr, Kris V. Jones, Emily F. Ghezawi, Andrew A. Wereszczak, Corson L. Cramer
{"title":"Apparent fracture toughness estimation of additively manufactured alumina from as-printed chevron-notched test specimens","authors":"Patrick L. Snarr,&nbsp;Kris V. Jones,&nbsp;Emily F. Ghezawi,&nbsp;Andrew A. Wereszczak,&nbsp;Corson L. Cramer","doi":"10.1111/jace.20327","DOIUrl":"https://doi.org/10.1111/jace.20327","url":null,"abstract":"<p>Ceramic vat photopolymerization (VPP) is a digital light processing method used to make additively manufactured green ceramic components that are then sintered. Despite the ever-advancing maturation of this method's green-state process, some of the material properties of sintered VPP-processed ceramics are still not well defined or understood. One example is Mode I fracture toughness, <i>K</i><sub>Ic</sub>. In this study, attention was devoted to <i>K</i><sub>Ic</sub> measurement using net-shape chevron-notched bend bars that were VPP-processed and the examination of whether valid <i>K</i><sub>Ic</sub> measurement could occur by testing them. Stable crack propagation was observed in &gt;60% of tested samples, indicated by a smooth nonlinear transition through the measured maximum force prior to final fracture. However, their results cannot yet be responsibly referred to as <i>K</i><sub>Ic</sub> because of continuing violations of other prerequisites needed for valid <i>K</i><sub>Ic</sub> testing.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143117032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The mechanical properties of irradiated concrete aggregates: Insights from molecular dynamics simulations
IF 3.5 3区 材料科学
Journal of the American Ceramic Society Pub Date : 2024-12-18 DOI: 10.1111/jace.20318
Takayoshi Fujimura, Yuji Hakozaki, Shunsuke Sakuragi, Yuu Nakajima, Kenta Murakami, Kiyoteru Suzuki, Ippei Maruyama, Takahiro Ohkubo
{"title":"The mechanical properties of irradiated concrete aggregates: Insights from molecular dynamics simulations","authors":"Takayoshi Fujimura,&nbsp;Yuji Hakozaki,&nbsp;Shunsuke Sakuragi,&nbsp;Yuu Nakajima,&nbsp;Kenta Murakami,&nbsp;Kiyoteru Suzuki,&nbsp;Ippei Maruyama,&nbsp;Takahiro Ohkubo","doi":"10.1111/jace.20318","DOIUrl":"https://doi.org/10.1111/jace.20318","url":null,"abstract":"<p>The concrete in nuclear power plant reactor buildings is exposed to neutron radiation, making it critical to evaluate and predict its deterioration under irradiation. The observed expansion of irradiated concrete is believed to be caused by the expansion of aggregate minerals, but the mechanisms behind this process are not well understood. This study uses molecular dynamics simulations to investigate the mechanical properties and mechanical fracture phenomena of a range of silicate minerals that are popular as concrete aggregates. Ten silicate minerals are targeted: <span></span><math>\u0000 <semantics>\u0000 <mi>α</mi>\u0000 <annotation>$alpha$</annotation>\u0000 </semantics></math>-quartz, orthoclase, microcline, albite, oligoclase, andesine, labradorite, augite, diopside, and forsterite. The mechanical properties (Young's modulus, maximum stress, and Poisson's ratio) of the minerals are determined through neutron irradiation and tensile simulations. The irradiation simulations reveal a decrease in mineral density, an expansion process involving amorphousization, and a change from anisotropic to isotropic mechanical properties. The isotropic Young's modulus and maximum stress significantly decrease with irradiation, and this effect is reproduced well in experimental results. The origin and process of mechanical fracturing are estimated by finding atoms with large displacements in tensile simulations, and the behavior of the stress–strain curve on the atomic scale is explained. In irradiated minerals, local stress relaxation occurs due to local atomic displacement, and large-scale mechanical fractures are suppressed. The factors involved in the mechanical fracturing and local stress relaxation of Na-feldspar are identified and discussed in terms of chemical bonding theory.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 4","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143116393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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