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相关概念视频

Superconductor01:24

Superconductor

1.1K
A substance that reaches superconductivity, a state in which magnetic fields cannot penetrate, and there is no electrical resistance, is referred to as a superconductor. In 1911, Heike Kamerlingh Onnes of Leiden University, a Dutch physicist, observed a relation between the temperature and the resistance of the element mercury. The mercury sample was then cooled in liquid helium to study the linear dependence of resistance on temperature. It was observed that, as the temperature decreased, the...
1.1K
Types Of Superconductors01:28

Types Of Superconductors

937
A superconductor is a substance that offers zero resistance to the electric current when it drops below a critical temperature. Zero resistance is not the only interesting phenomenon as materials reach their transition temperatures. A second effect is the exclusion of magnetic fields. This is known as the Meissner effect. A light, permanent magnet placed over a superconducting sample will levitate in a stable position above the superconductor. High-speed trains that levitate on strong...
937
Theory of Metallic Conduction01:17

Theory of Metallic Conduction

1.3K
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.
An electron moves through the crystal, containing positive ions,...
1.3K
Bonding in Metals02:32

Bonding in Metals

46.9K
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
46.9K

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Updated: Jun 6, 2025

Comparison of Two Different Synthesis Methods of Single Crystals of Superconducting Uranium Ditelluride
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TcESTIME:预测基于的高温超导体

Trinidad Novoa1,2, Matías E di Mauro1, Diego Inostroza1

  • 1Laboratoire de Chimie Théorique (LCT), Sorbonne Université, CNRS 4 Pl. Jussieu Paris 75005 France trinidad.novoa_aguirre@sorbonne-universite.fr.

Chemical science
|November 27, 2024
PubMed
概括
此摘要是机器生成的。

我们开发了TcESTIME,这是一个通过分析电子结构来快速预测基材料中高临界温度 (Tc) 超导性的代码. 这个工具可以更快地选新的超导体,超越昂贵的计算和视觉分析.

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科学领域:

  • 材料科学 是一种材料科学.
  • 凝聚物质物理学 凝聚物质物理学
  • 计算化学计算化学

背景情况:

  • 超导性是20世纪的一个发现,在合成和表征新的高临界温度 (Tc) 材料方面面临着挑战.
  • 理论预测是有价值的,但在计算上是昂贵的.
  • 目前用于识别超导指标的现有方法,如网络值和分子性指数,依赖于视觉分析,限制了可扩展性.

研究的目的:

  • 开发一种计算工具,用于对基于的超导体进行高通量选.
  • 为了自动量化与高Tc相关的电子结构特征的量化.
  • 为了建立一个更快的替代方案,以计算密集型的方法来预测超导.

主要方法:

  • 开发了TcESTIME代码,实施周期算法,从电子结构计算网络值.
  • 利用电子定位函数拓来确定电子移位通道 (网络值) 并量化分子存在.
  • 将TcESTIME应用于基于的超导体的数据集,包括三元化合物.

主要成果:

  • TcESTIME代码在几分钟内准确地估计了已知超导体如LaH10的Tc.
  • 提出了Tc估计的新匹配,达到大约33K的误差.
  • 证明了代码对潜在超导材料的高通量选的能力.

结论:

  • TcESTIME提供了一个可扩展和高效的方法来识别潜在的高Tc超导体.
  • 该代码促进了自动选,减少了对昂贵计算和主观视觉分析的依赖.
  • 这项工作为加速发现新的基于的超导体奠定了基础.