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从新发现材料看李大钊1923年五四纪念大会上的讲演 被引量:1
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作者 韦磊 曹昱阳 《北京档案》 北大核心 2023年第5期50-54,共5页
1923年5月4日,北京学生联合会组织召开五四纪念大会,李大钊在会上发表演讲。1949年之后,学界在编辑李大钊著作时,基本上都是以《晨报》报道为蓝本。实际上,当时多家报纸都对此次纪念大会及李大钊的讲演给予了详略不同的报道。其中,新发... 1923年5月4日,北京学生联合会组织召开五四纪念大会,李大钊在会上发表演讲。1949年之后,学界在编辑李大钊著作时,基本上都是以《晨报》报道为蓝本。实际上,当时多家报纸都对此次纪念大会及李大钊的讲演给予了详略不同的报道。其中,新发现的《京报》等报道较《晨报》报道更为翔实。通过对新发现材料的整理、研究,可以看到李大钊在讲演中不仅阐述了他对孙中山领导的护法运动的看法,而且阐述了他对中国革命的相关认识。新发现材料对于深化这一时期李大钊的相关思想研究具有一定的意义。 展开更多
关键词 发现材料 五四纪念大会 李大钊 思想
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基于机器学习的卤化物双钙钛矿材料性能预测
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作者 张琪鑫 徐章洋 +1 位作者 冯萍 涂洁磊 《太阳能学报》 EI CAS CSCD 北大核心 2024年第4期107-115,共9页
以卤化物双钙钛矿材料为研究对象,利用机器学习方法高速、高精确预测卤化物双钙钛矿材料的带隙和相对稳定性。使用贝叶斯岭回归、梯度提升回归、支持向量回归和XGBoost这4种算法建立模型,分析得出:梯度提升回归可为相对稳定性提供最高... 以卤化物双钙钛矿材料为研究对象,利用机器学习方法高速、高精确预测卤化物双钙钛矿材料的带隙和相对稳定性。使用贝叶斯岭回归、梯度提升回归、支持向量回归和XGBoost这4种算法建立模型,分析得出:梯度提升回归可为相对稳定性提供最高性能预测(R^(2)=0.9161,MAE=0.2061),XGBoost可为带隙提供最高性能预测(R^(2)=0.9899,MAE=0.0542);采用SHAP方法解释模型后,对元素替换后的新样本进行筛选,最终获得18种光吸收范围理想且稳定性良好的卤化物双钙钛矿。结果表明,相比传统方法,基于数据驱动的机器学习方法可有效加速功能材料的发现,提高设计效率。 展开更多
关键词 卤化物双钙钛矿 机器学习 特征工程 材料发现 太阳电池
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S-粗集与新材料发现-识别 被引量:25
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作者 史开泉 《系统工程与电子技术》 EI CSCD 北大核心 2006年第3期383-388,共6页
S-粗集(singular rough sets)具有两类形式:单向S-粗集(one direction S-rough sets)和双向S-粗集(two direction S-rough sets)。S-粗集具有遗传特征、记忆特征。把S-粗集与材料科学进行学科渗透,互补共享,给出新金属材料的发现-识别... S-粗集(singular rough sets)具有两类形式:单向S-粗集(one direction S-rough sets)和双向S-粗集(two direction S-rough sets)。S-粗集具有遗传特征、记忆特征。把S-粗集与材料科学进行学科渗透,互补共享,给出新金属材料的发现-识别的讨论,利用属性生成模型给出新金属材料的属性值分析,给出的结果与实际相符。S-粗集是粗集研究的一个新方向,是新材料发现-识别的一个新的数学工具。 展开更多
关键词 S-粗集 材料发现一识别 属性值生成
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S-粗集与新金属材料发现(Ⅱ)
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作者 史开泉 陈淑珍 《山东大学学报(工学版)》 CAS 2005年第5期96-103,共8页
给出属性下界值,属性上界值的数据生成概念,给出属性下界值的数据生成模型,属性上界值的数据生成模型;提出金属材料的遗传-进化定理,金属材料的遗传进化-遗传变异原理.利用这些数据模型讨论了发现新金属材料的方法;对于新发现的新金属... 给出属性下界值,属性上界值的数据生成概念,给出属性下界值的数据生成模型,属性上界值的数据生成模型;提出金属材料的遗传-进化定理,金属材料的遗传进化-遗传变异原理.利用这些数据模型讨论了发现新金属材料的方法;对于新发现的新金属材料用例子证明它的存在,本文的例子说明,S-粗集和它的属性值模型是材料科学中新材料发现的一个新的工具. 展开更多
关键词 S-粗集 属性下界值 属性上界值 属性数据模型 遗传-进化定理 新金属材料发现 应用
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深度学习与第一性原理计算
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作者 李贺 段文晖 徐勇 《物理》 CAS 北大核心 2024年第7期442-449,共8页
第一性原理计算基于量子力学基本原理,通过求解复杂的多电子相互作用问题实现高精度材料计算预测,已成为现代物理学、化学、材料科学等诸多领域中不可或缺的研究手段。然而,高昂的计算成本限制了第一性原理计算的广泛应用,使得大尺度材... 第一性原理计算基于量子力学基本原理,通过求解复杂的多电子相互作用问题实现高精度材料计算预测,已成为现代物理学、化学、材料科学等诸多领域中不可或缺的研究手段。然而,高昂的计算成本限制了第一性原理计算的广泛应用,使得大尺度材料模拟和材料大数据构建等重要领域的发展面临重大挑战。近年来,Alpha Go、Alpha Fold、Chat GPT等突破性工作的涌现宣示了人工智能新时代的来临,第一性原理计算领域也迎来了变革性转变的历史机遇。深度学习为第一性原理计算提供了新的研究范式,通过精确建模和高效预测,有望突破传统方法的瓶颈问题。文章介绍了一类基于深度学习的第一性原理计算方法,利用神经网络对密度泛函理论中的核心物理量——密度泛函理论哈密顿量进行建模,并设计出满足局域性原理、协变性原理等关键物理先验的先进神经网络架构,实现了高效精确的深度学习电子结构计算。该方法已成功应用于转角范德瓦耳斯材料等体系的大尺度材料模拟、基于材料大数据的通用材料模型构建等极具挑战性的任务中,为发展材料大模型、推动人工智能驱动的材料发现提供了新的机遇。 展开更多
关键词 第一性原理计算 密度泛函理论 深度学习 材料大模型 人工智能驱动的材料发现
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人工智能与大数据在材料科学中的融合:新范式与科学发现
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作者 杨帅 刘建军 +1 位作者 金帆 陆颖 《科学通报》 EI CAS 2024年第32期4730-4747,共18页
材料科学作为一门关键学科,在推动社会进步和科技创新中发挥着不可替代的作用.随着人工智能(artificial intelligence,AI)和大数据技术的飞速发展,材料科学的研究范式正在经历一场深刻的变革,本综述探讨了AI与大数据结合,如何重塑材料... 材料科学作为一门关键学科,在推动社会进步和科技创新中发挥着不可替代的作用.随着人工智能(artificial intelligence,AI)和大数据技术的飞速发展,材料科学的研究范式正在经历一场深刻的变革,本综述探讨了AI与大数据结合,如何重塑材料科学的研究范式(AI formaterials science),加速计算材料学的发展,并推动实验过程的革新.首先,概述了大数据背景下材料数据库的基础设施建设.这些数据库作为科研工作的基石,为材料数据的存储、管理和分析提供了强大的支持.接着,讨论了AI技术在材料发现周期各阶段的应用,并介绍了AI与实验室自动化和机器人技术融合形成的自我驱动实验室(self-driving laboratories,SDLs)的兴起.SDLs实现了材料发现的完整闭环流程,推动了科学研究向自主科学发现模式的重要转变.此外,大型语言模型(largelanguagemodels,LLMs)的发展更是为自然语言理解带来了革命性变化,推动科学LLMs的兴起,拓宽了从文本理解到科学探索的能力.本文进一步综述了材料科学中大型语言模型的最新进展,强调了它们在加速材料发现过程中的关键作用.最后,探讨了AI在材料研究中的巨大潜力,并审视了构建材料研究智能生态系统所面临的挑战.通过对相关研究进展的梳理,本文旨在为科研人员提供信息参考,并揭示AI在材料研究中的重要性. 展开更多
关键词 人工智能 材料发现 自我驱动实验室 大型语言模型
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精心设“计” 慧眼识“材”
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作者 刘海芳 《教师》 2018年第6期24-25,共2页
《义务教育语文课程标准(2011年版)》指出:写作是应用语言文字进行表达和交流的重要方式,是认识世界、认识自我、创造性表述的过程。然而,有些学生一提起习作就犯难,关键是“无米下锅”。要想解决这个难题,教师需要精心设“计”,引导学... 《义务教育语文课程标准(2011年版)》指出:写作是应用语言文字进行表达和交流的重要方式,是认识世界、认识自我、创造性表述的过程。然而,有些学生一提起习作就犯难,关键是“无米下锅”。要想解决这个难题,教师需要精心设“计”,引导学生从生活中积累、发现、提取写作材料,写出鲜活的习作来。文章通过巧导积材、巧设取材、巧评用材三个方面进行阐述。 展开更多
关键词 巧导 巧设 巧评 积累材料 发现材料 运用材料
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An experiment discovery about gravitational force changes in materials due to temperature variation 被引量:1
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作者 Fan Liangzao Feng Jinsong Liu Wuqing 《Engineering Sciences》 EI 2010年第2期9-11,共3页
The authors discovered in first time that the weight of materials or its gravitational force by earth related to its temperature and its ferromagnetism. An experiment was designed to elevate the temperatures of six di... The authors discovered in first time that the weight of materials or its gravitational force by earth related to its temperature and its ferromagnetism. An experiment was designed to elevate the temperatures of six different materials (Au, Ag, Cu, Fe, Al, Ni) up to 600 ℃and precisely measured their weights. It is found all the materials weigh about 0.33 ‰ - 0. 82 ‰ less. For example the weight of silver sample weighted by a precision electronic scale in a manner of special design decreases about 0.8 ‰, when its temperature is elevated to 600 ℃. Thus different metals' gravitational forces or weights are adjusted with temperature variation. 展开更多
关键词 metal gravitational force internal energy of mass ferromagnetic materials NDFEB
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Nanocellulose Composites—Properties and Applications 被引量:23
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作者 Chang Ma MingGuo Ma +1 位作者 ZhiWen Li Bin Wang 《Paper And Biomaterials》 2018年第2期51-63,共13页
Nanocellulose composites combine the advantages of nanocellulose and composites. Recently, nanocellulose composites have been received more attentions due to their improved properties and promising broad applications.... Nanocellulose composites combine the advantages of nanocellulose and composites. Recently, nanocellulose composites have been received more attentions due to their improved properties and promising broad applications. In the past, rapid progress has been made in the synthesis, properties, and mechanism of nanocellulose composites and potential applications were reported. There are a few reports on the increasing applications of nanocellulose composites with focus on the biomedical field, environmental field, electrode and sensor applications. In this article, the recent development of nanocellulose composites was reviewed via some typical examples. In addition to the synthesis methods, improved properties and potential applications were discussed. The problems and future applications of nanocellulose composites were also suggested. 展开更多
关键词 NANOCELLULOSE COMPOSITE PROPERTY application SENSOR biomedical field
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Advances in Hard Tissue Engineering Materials——Nanocellulose-based Composites 被引量:10
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作者 HuiZe Luo JuanJuan Li FengShan Zhou 《Paper And Biomaterials》 2018年第4期62-76,共15页
Nanocellulose(NC) has attracted much interest in the tissue engineering(TE) field because of its properties including biocompatibility,renewability, non-toxicity, functionality, and excellent mechanical performance. T... Nanocellulose(NC) has attracted much interest in the tissue engineering(TE) field because of its properties including biocompatibility,renewability, non-toxicity, functionality, and excellent mechanical performance. This review mainly focused on the advanced applications of NC-based composites in hard TE including cartilage TE, bone TE, and dental TE, illustrated the processing methods for synthesizing scaffolds including electrospinning, freeze-drying, and 3 D printing, reviewed the current status of hard TE, and presented perspective on the future of TE technology. 展开更多
关键词 NANOCELLULOSE hard tissue engineering scaffolds
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Reaction Characteristics of Polysaccharide-Iodine Complexes: A Mini-review
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作者 GenQue Fu Nan Li +2 位作者 YaJie Hu PanPan Yue Feng Peng 《Paper And Biomaterials》 2018年第2期64-75,共12页
The potential reactions between natural polysaccharides and iodine and their products have been explored for a long time. Due to the complex factors that can in?uence these reactions, a clear-cut mechanism ... The potential reactions between natural polysaccharides and iodine and their products have been explored for a long time. Due to the complex factors that can in?uence these reactions, a clear-cut mechanism has not yet been developed. Starch-iodine complexes, especially the amylose-iodine complex, are the most investigated of the polysaccharide-iodine reactions, and the study of this reaction can be used as a basis for the investigation of other polysaccharide-iodine reactions. In this paper, significant aspects of the reaction were introduced, including the influence of the polysaccharide structure on the properties of the resulting complexes, the relationship between the concentration of CaCl2 and formation of the final products, as well as the form of the polyiodides in these complexes. The interior structure and the surface morphology of the complexes were discussed, along with the progress in research related to this reaction. 展开更多
关键词 AMYLOSE hemicelluloses I2-KI POLYIODIDE POLYSACCHARIDES
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《废艺斋集稿》研究综述 被引量:4
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作者 任晓辉 辛欣 《红楼梦学刊》 CSSCI 北大核心 2006年第3期152-165,共14页
关键词 《废艺斋集稿》 《曹雪芹的佚著和传记材料发现 成书年代 第二册 研究者 材料 序文 考证
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Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O single crystals for remote optical thermometry 被引量:2
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作者 Jun-Hua Wei Jian-Bin Luo +2 位作者 Jin-Feng Liao Wei-Tao Ou Dai-Bin Kuang 《Science China Materials》 SCIE EI CAS CSCD 2022年第3期764-772,共9页
Zero-dimensional metal halide perovskites have captured intense research interest owing to their unique optoelectronic properties.Particularly,metal halides with the ns^(2) electronic configuration are of great intere... Zero-dimensional metal halide perovskites have captured intense research interest owing to their unique optoelectronic properties.Particularly,metal halides with the ns^(2) electronic configuration are of great interest owing to the high-temperature sensitivity of their photoluminescence,which could be applied to remote optical thermometry(ROT).Herein,all-inorganic and lead-free halide perovskite Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O single crystals(SCs)were prepared through the hydrothermal method and showed a strong temperature dependence of photoluminescence lifetime.Upon Te^(4+) doping,the nonemissive Cs_(2)InCl_(5)·H_(2)O SC exhibits a bright orange emission at 660 nm with a wide full width at half maximum of 180 nm.The strong phonon-exciton coupling promotes the formation of self-trapped excitons in the soft lattice of the zero-dimensional Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O SC.The Te^(4+) ions with the 5 s^(2) electronic configuration endow the Te^(4+)-doped Cs_(2)InCl_(5)·H_(2)O SC with a strong temperaturedependent photoluminescence lifetime.This SC reaches a maximum specific sensitivity of 0.062 K^(-1) at 320 K,thereby showing the potential advantages of indium-based metal halide perovskites in ROT applications. 展开更多
关键词 metal halide perovskite remote optical thermometry PHOTOLUMINESCENCE LEAD-FREE
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60 years of Rabinowicz' criterion for adhesive wear 被引量:2
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作者 Elena POPOVA Valentin L.POPOV Dae-Eun KIM 《Friction》 SCIE CSCD 2018年第3期341-348,共8页
60 years ago, in 1958, Ernest Rabinowicz published a 5 page paper titled "The effect of size on the looseness of wear fragments" where he suggested a criterion determining the minimum size of wear particles.... 60 years ago, in 1958, Ernest Rabinowicz published a 5 page paper titled "The effect of size on the looseness of wear fragments" where he suggested a criterion determining the minimum size of wear particles. The criterion of Rabinowicz is based on the consideration of the interplay of elastic energy stored in "asperities" and the work of separation needed for detaching a wear particle. He was probably the first researcher who explicitly emphasized the role of adhesion in friction and wear. In a recent paper in Nature Communications, Aghababaei, Warner and Molinari confirmed the criterion of Rabinowicz by means of quasi-molecular dynamics and illustrated the exact mechanism of the transition from plastic smoothing to formation of wear debris. This latter paper promoted the criterion of Rabinowicz to a new paradigm for current studies of adhesive wear. The size arguments of Rabinowicz can be applied in the same form also to many other problems, such as brittle-ductile transition during indentation, cutting of materials or ultimate strength of nano-composites. 展开更多
关键词 ADHESION PLASTICITY WEAR Archard's law of wear Rabinowicz criterion surface topography history of Tribology
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MgF_(2):Mn^(2+):novel material with mechanically-induced luminescence 被引量:2
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作者 Jingjing Ning Yuantian Zheng +4 位作者 Yinti Ren Leipeng Li Xingqiang Shi Dengfeng Peng Yanmin Yang 《Science Bulletin》 SCIE EI CSCD 2022年第7期707-715,共9页
Mechanoluminescent(ML)materials can directly convert external mechanical stimulation into light without the need for excitation from other forms of energy,such as light or electricity.This alluring characteristic make... Mechanoluminescent(ML)materials can directly convert external mechanical stimulation into light without the need for excitation from other forms of energy,such as light or electricity.This alluring characteristic makes ML materials potentially applicable in a wide range of areas,including dynamic imaging of force,advanced displays,information code,storage,and anti-counterfeiting encryption.However,current reproducible ML materials are restricted to sulfide-and oxide-based materials.In addition,most of the reported ML materials require pre-irradiation with ultraviolet(UV)lamps or other light sources,which seriously hinders their practical applications.Here,we report a novel ML material,MgF_(2):Mn^(2+),which emits bright red light under an external dynamic force without the need for pre-charging with UV light.The luminescence properties were systematically studied,and the piezophotonic application was demonstrated.More interestingly,unlike the well-known zinc sulfide ML complexes reported previously,a highly transparent ML film was successfully fabricated by incorporating MgF_(2):Mn^(2+)into polydimethylsiloxane(PDMS)matrices.This film is expected to find applications in advanced flexible optoelectronics such as integrated piezophotonics,artificial skin,athletic analytics in sports. 展开更多
关键词 Mechanically induced luminescence MgF_(2):Mn^(2+) X-RAY Long-persistence luminescence
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