148,619 research outputs found

    Big-Data-Driven Materials Science and its FAIR Data Infrastructure

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    This chapter addresses the forth paradigm of materials research -- big-data driven materials science. Its concepts and state-of-the-art are described, and its challenges and chances are discussed. For furthering the field, Open Data and an all-embracing sharing, an efficient data infrastructure, and the rich ecosystem of computer codes used in the community are of critical importance. For shaping this forth paradigm and contributing to the development or discovery of improved and novel materials, data must be what is now called FAIR -- Findable, Accessible, Interoperable and Re-purposable/Re-usable. This sets the stage for advances of methods from artificial intelligence that operate on large data sets to find trends and patterns that cannot be obtained from individual calculations and not even directly from high-throughput studies. Recent progress is reviewed and demonstrated, and the chapter is concluded by a forward-looking perspective, addressing important not yet solved challenges.Comment: submitted to the Handbook of Materials Modeling (eds. S. Yip and W. Andreoni), Springer 2018/201

    Kajian amalan budaya Orang Asli Suku Kaum Jakun di Kampung Peta

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    Orang Asli suku kaum Jakun kaya dengan pelbagai budaya yang unik dan tersendiri. Arus globalisasi kini, telah memberi kesan kepada pengamalan kebudayaan warisan mereka dalam kehidupan seharian. Hal ini disebabkan kurangnya penglibatan daripada generasi muda hari ini. Terdapat tiga objektif dalam kajian ini iaitu mengenalpasti jenis budaya material dan bukan material yang terdapat di Kampung Peta, mengkaji kecenderungan generasi muda kepada pengamalan budaya warisan suku kaum mereka dan menganalisis langkah untuk mengekalkan amalan budaya warisan Orang Asli Jakun di Kampung Peta. Metodologi yang digunakan adalah berbentuk kualitatif dengan menyediakan dua set soalan temu bual mendalam kepada kumpulan fokus atau focus group, pemerhatian peserta dan pemerhatian tidak turut serta. Responden adalah terdiri daripada dua kumpulan iaitu penduduk Jakun di Kampung Peta yang mempunyai kemahiran dalam aspek amalan budaya dan generasi muda iaitu remaja dan belia Jakun untuk mencapai objektif kajian pertama dan kedua. Hasil kajian utama terdapat amalan budaya yang masih dilakukan dan dijalankan di Kampung Peta iaitu amalan budaya material yang terdiri daripada suku kaum Jakun, gelaran, dialek, peralatan, kraf tangan, makanan, nyanyian, tarian dan tempat tinggal. Bagi amalan budaya bukan material ialah agama dan kepercayaan serta perubatan tradisional manakala kecenderungan generasi muda kepada pengamalan budaya warisan kerana mereka tidak menunjukkan minat dan komitmen untuk mewarisi amalan budaya tersebut. Justeru, langkah pengekalan bagi mengekalkan kebudayaan suku kaum mereka iaitu dengan cara pengkomersialan produk budaya, memperkasa dan meningkatkan kebolehan Orang Asli, memberikan pendedahan yang khusus, memberi galakan dan insentif dan mewujudkan Rumah Budaya. Cadangan ini bukan sahaja boleh mengekalkan amalan budaya tetapi sebagai medium kesinambungan warisan untuk pengetahuan dan tatapan generasi akan datang

    Review of the Synergies Between Computational Modeling and Experimental Characterization of Materials Across Length Scales

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    With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends where predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure-properties relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanics community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to "simply" support experimental work. This is illustrated by examples from several application areas on structural materials. This manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.Comment: 25 pages, 11 figures, review article accepted for publication in J. Mater. Sc

    Calculation of the Anisotropic Coefficients of Thermal Expansion: A First-Principles Approach

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    Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices which operate over a large temperature range. While most current methods are limited to isotropic systems within the quasiharmonic approximation, our method uses first-principles calculations and includes anharmonic effects to determine the temperature-dependent properties of materials. These include the lattice parameters, anisotropic coefficients of thermal expansion, isothermal bulk modulus, and specific heat at constant pressure. Our method has been tested on two compounds (Cu and AlN) and predicts thermal properties which compare favorably to experimental measurement over a wide temperature range.Comment: 8 pages, 9 figures, 1 tabl
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