Understanding lanthanum aluminate glass structure by correlating molecular dynamics simulation results with neutron and X-ray scattering data

Du JC; Corrales LR

首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Understanding lanthanum aluminate glass structure by correlating molecular dynamics simulation results with neutron and X-ray scattering data

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Understanding lanthanum aluminate glass structure by correlating molecular dynamics simulation results with neutron and X-ray scattering data

机译：通过将分子动力学模拟结果与中子和X射线散射数据相关联来了解铝酸镧玻璃的结构

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In this work, molecular dynamics simulations are employed to characterize the atomic-level structure of the lanthanum aluminate Glass (LAG) glass. Partial structure factors and pair distribution functions obtained from the simulated glass structure are used to determine the contributions of specific components of the glass to the various peaks of neutron and X-ray diffraction data. The distinct contributions of each of the atom pairs reveal the observed differences in the structure factors and total distribution functions. (c) 2006 Elsevier B.V. All rights reserved.

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《Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites》 |2007年第26期|共5页
作者
Du JC; Corrales LR;
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正文语种 eng
中图分类晶体学;
关键词
neutron diffraction/scattering; X-ray diffraction; molecular dynamics; rare-earths in glasses; medium-range order; short-range order; PHASE;

机译：中子衍射/散射;X射线衍射;分子动力学;玻璃中的稀土;中程级;短程级;相;

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1. Understanding lanthanum aluminate glass structure by correlating molecular dynamics simulation results with neutron and X-ray scattering data [J] . Du JC, Corrales LR Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites . 2007,第26期

机译：通过将分子动力学模拟结果与中子和X射线散射数据相关联来了解铝酸镧玻璃的结构
2. The structure of liquid calcium aluminates as investigated using neutron and high energy x-ray diffraction in combination with molecular dynamics simulation methods [J] . Drewitt J.W.E., Jahn S., Cristiglio V., Journal of Physics. Condensed Matter . 2011,第15期

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Understanding lanthanum aluminate glass structure by correlating molecular dynamics simulation results with neutron and X-ray scattering data

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