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相关概念视频

Elastic Collisions: Introduction01:00

Elastic Collisions: Introduction

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An elastic collision is one that conserves both internal kinetic energy and momentum. Internal kinetic energy is the sum of the kinetic energies of the objects in a system. Truly elastic collisions can only be achieved with subatomic particles, such as electrons striking nuclei. Macroscopic collisions can be very nearly, but not quite, elastic, as some kinetic energy is always converted into other forms of energy such as heat transfer due to friction and sound. An example of a nearly...
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The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

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Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
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X-ray Crystallography02:18

X-ray Crystallography

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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Arrhenius Plots02:34

Arrhenius Plots

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The Arrhenius equation relates the activation energy and the rate constant, k, for chemical reactions. In the Arrhenius equation, k = Ae−Ea/RT, R is the ideal gas constant, which has a value of 8.314 J/mol·K, T is the temperature on the kelvin scale, Ea is the activation energy in J/mole, e is the constant 2.7183, and A is a constant called the frequency factor, which is related to the frequency of collisions and the orientation of the reacting molecules.
The Arrhenius equation can be used...
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Perpendicular-Axis Theorem01:16

Perpendicular-Axis Theorem

2.8K
The perpendicular-axis theorem states that the moment of inertia of a planar object about an axis perpendicular to its plane is equal to the sum of the moments of inertia about two mutually perpendicular concurrent axes lying in the plane of the body.
Consider a circular disc of mass M and radius R lying along an x-y plane. The origin lies at the center of the disc, and the z-axis is perpendicular to the disc's plane. All three axes coincide at the disc's center. The moment of inertia of this...
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Elastic Collisions: Case Study01:15

Elastic Collisions: Case Study

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Elastic collision of a system demands conservation of both momentum and kinetic energy. To solve problems involving one-dimensional elastic collisions between two objects, the equations for conservation of momentum and conservation of internal kinetic energy can be used. For the two objects, the sum of momentum before the collision equals the total momentum after the collision. An elastic collision conserves internal kinetic energy, and so the sum of kinetic energies before the collision equals...
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相关实验视频

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In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation
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In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation

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对不弹性原子表面散射的完全ab initio方法.

Michelle M Kelley1, Ravishankar Sundararaman2, Tomás A Arias1

  • 1Department of Physics, Cornell University, Ithaca, New York 14853, USA.

Physical review letters
|January 19, 2024
PubMed
概括

我们开发了一种新的原子表面散射的初始理论,使得精确的声子激发计算成为可能. 这种方法纠正了现有的理论,并指导了未来的原子束散射实验.

科学领域:

  • 表面科学是一门科学.
  • 原子物理 原子物理
  • 凝聚物质物理学 凝聚物质物理学

背景情况:

  • 不弹性原子表面散射对于理解表面动态至关重要.
  • 目前的理论往往产生误导性的结果单声激发.
  • 需要准确的理论模型来解释实验数据.

研究的目的:

  • 介绍关于不弹性原子表面散射的完全ab initio理论.
  • 将理论应用于从Nb(100) 发出的散射.
  • 为预测单声子激发提供一种通用和准确的方法.

主要方法:

  • 对散射原子-电子顶点的直接第一原则评估.
  • 发展原子表面相互作用的一般理论框架.
  • 对特定的原子表面系统的计算应用 (He/Nb100)).

主要成果:

  • 证明了对不弹性散射的完全初始方法.
  • 成功地将理论应用于Nb(100) 的散射.
  • 识别并纠正现有的最先进理论中的不准确性.

结论:

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Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling

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Structural Studies of Macromolecules in Solution using Small Angle X-Ray Scattering
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Contrast-Matching Detergent in Small-Angle Neutron Scattering Experiments for Membrane Protein Structural Analysis and Ab Initio Modeling
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  • 开发的ab initio理论提供了一种通用和准确的方法,用于研究原子表面散射中的单声子激发.
  • 这种方法纠正了以前的理论限制,并为实验指导提供了可靠的工具.
  • 该理论对于解释使用下一代非破坏性原子束散射技术的实验至关重要.