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Updated: Jun 18, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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通过分子动力学研究酸中非线性热膨胀的第一原则,结合了核量子效应

Kansei Kanayama1, Kazuaki Toyoura1

  • 1Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501, Japan.

Journal of physics. Condensed matter : an Institute of Physics journal
|July 29, 2024
PubMed
概括

核量子效应 (NQE) 对于理解酸等材料的低温相位过渡至关重要. 量子热浴 (QTB) 模拟准确地捕捉到这些效应,改进了经典方法.

关键词:
第一个原则是计算计算.分子动力学分子动力学非线性热膨胀是一种非线性热膨胀.准电 - 铁电相位过渡佩洛夫斯基特石的使用情况量子热浴是一个量子热浴.

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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses08:55

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Theory of Metallic Conduction

The conduction of free electrons inside a conductor is best described by quantum mechanics. However, a classical model makes predictions close to the results of quantum mechanics. It is called the theory of metallic conduction.
In this theory, Newton's second law of motion is used to determine the acceleration of an electron in the presence of an applied electric field. Then, its velocity is expressed via this acceleration.
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San Francisco's Golden Gate Bridge is exposed to temperatures ranging from -15 °C to 40 °C. At its coldest, the main span of the bridge is 1275 m long. Assuming that the bridge is made entirely of steel, what is the change in its length between these temperatures?
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