Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Atomic Nuclei: Nuclear Magnetic Moment00:59

Atomic Nuclei: Nuclear Magnetic Moment

1.2K
All atomic nuclei are positively charged. When they have a nonzero spin, they behave like rotating charges. As a consequence of their charge and spin, these nuclei generate a magnetic field (B). This, in turn, gives rise to a magnetic moment (μ), which is randomly oriented in the absence of an external magnetic field. When an external magnetic field (B0) is applied, the magnetic moment vectors can align with the field or against it in 2 + 1 orientations. A hydrogen nucleus, which is just a...
1.2K
Moment of a Force: Scalar Formulation01:18

Moment of a Force: Scalar Formulation

778
The moment of a force, also known as torque, measures the ability of the force to create rotational motion in a body about an axis. It is a vector quantity, meaning it has both magnitude and direction. This concept is used extensively in engineering, physics, and mechanics.
Consider a simple example of a flywheel being rotated about a point, O, by applying a force to it. In this case, the moment arm is the perpendicular distance between the point O and the line of action of the force. The...
778
Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

676
In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
676
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

998
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of...
998
The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

24.1K
In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
24.1K
Moment of a Force: Vector Formulation01:27

Moment of a Force: Vector Formulation

4.3K
The moment of force refers to the measure of the rotational tendency of a force. It occurs when a force is applied in such a way that it produces a twisting or rotational motion rather than linear motion. The moment arm of a force is the perpendicular distance from the line of action of the force to the axis of rotation. The moment of force is not a scalar but a vector quantity.
The vector formulation of the moment of force is the cross-product of the position and force vectors. The...
4.3K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Incorporating Coulomb interactions with fixed charges in moment tensor potentials and equivariant tensor network potentials.

The Journal of chemical physics·2026
Same author

Low-rank matrix and tensor approximations for compression of machine-learning interatomic potentials.

The Journal of chemical physics·2025
Same author

Moment tensor potential and equivariant tensor network potential with explicit dispersion interactions.

The Journal of chemical physics·2025
Same author

Nanohardness from First Principles with Active Learning on Atomic Environments.

Journal of chemical theory and computation·2022

相关实验视频

Updated: Jul 17, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.3K

MLIP-3:在具有动量张量潜力的原子环境中进行主动学习.

Evgeny Podryabinkin1, Kamil Garifullin2, Alexander Shapeev1

  • 1Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Bolshoy boulevard 30, Moscow 143026, Russian Federation.

The Journal of chemical physics
|August 28, 2023
PubMed
概括
此摘要是机器生成的。

研究人员介绍了MLIP-3,这是一个用于创建和训练动量张量潜力的新包. 这种增强的软件使用机器学习潜力和对原子社区的积极学习来改进原子模拟.

更多相关视频

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
06:53

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−

Published on: July 27, 2018

8.7K
Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
09:06

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope

Published on: March 24, 2019

8.1K

相关实验视频

Last Updated: Jul 17, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.3K
Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
06:53

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−

Published on: July 27, 2018

8.7K
Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
09:06

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope

Published on: March 24, 2019

8.1K

科学领域:

  • 计算材料科学 计算材料科学
  • 机器学习在物理学中的应用

背景情况:

  • 在原子模型中,共享研究代码至关重要.
  • 机器学习的潜力正在迅速推进这个领域.
  • 现有的软件包有助于古典和量子力学建模.

研究的目的:

  • 介绍MLIP-3包,用于构造和训练矩张力电位.
  • 通过改进机器学习潜力来增强原子模拟.
  • 在大规模模拟中利用原子社区的积极学习.

主要方法:

  • 开发了MLIP-3软件包.
  • 动量张量潜力的实现.
  • 积极学习技术的应用,用于模型培训.

主要成果:

  • 与其前身MLIP-2相比,MLIP-3提供了改进的功能.
  • 该套件有助于高效地构建和训练矩张力电位.
  • 积极学习应用于原子社区,以提高模拟准确度.

结论:

  • MLIP-3代表了原子模型软件的重大进步.
  • 该包支持机器学习潜力的不断增长领域.
  • 增强的积极学习能力提高了大规模模拟的效率和准确性.