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相关概念视频

Structures of Solids02:22

Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
14.0K
X-ray Crystallography02:18

X-ray Crystallography

23.8K
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...
23.8K
Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

1.8K
Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
1.8K
Recrystallization: Solid–Solution Equilibria01:10

Recrystallization: Solid–Solution Equilibria

1.1K
Recrystallization is a purification technique used to separate impurities from solid compounds. In this technique, no chemical reactions occur. Instead, it exploits physical properties only, specifically, the solubility differences between the desired compound and impurities, either at a single temperature or at different temperatures, and under other selected conditions. The solid-solution equilibrium (solubility equilibrium) of each component in the solution represents a binary phase...
1.1K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

9.6K
The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
9.6K
Metallic Solids02:37

Metallic Solids

18.3K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
18.3K

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相关实验视频

Updated: Jun 15, 2025

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature
07:42

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature

Published on: March 11, 2022

1.8K

在两个相似的晶体表面之间构建一个共同的超级细胞的确定性方法.

Weon-Gyu Lee1,2, Jung-Hoon Lee1

  • 1Computational Science Research Center, Korean Institute of Science and Technology (KIST), Seoul, 02792, South Korea.

Small methods
|August 28, 2024
PubMed
概括
此摘要是机器生成的。

一个新的确定性算法有效地构建了晶体表面的常见超级细胞,使得2D异构结构的快速设计和发现具有潜在稳定性的新型moiré模式成为可能.

关键词:
常见的超细胞是常见的超细胞.复杂的平面 复杂的平面本质向量本质价值关系不同结构异构结构.莫伊尔格局的模式

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Microcrystallography of Protein Crystals and In Cellulo Diffraction
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Microcrystallography of Protein Crystals and In Cellulo Diffraction

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From Constructs to Crystals &#8211; Towards Structure Determination of &#946;-barrel Outer Membrane Proteins
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From Constructs to Crystals – Towards Structure Determination of β-barrel Outer Membrane Proteins

Published on: July 4, 2016

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相关实验视频

Last Updated: Jun 15, 2025

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature
07:42

On-Chip Crystallization and Large-Scale Serial Diffraction at Room Temperature

Published on: March 11, 2022

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Microcrystallography of Protein Crystals and In Cellulo Diffraction
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Microcrystallography of Protein Crystals and In Cellulo Diffraction

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From Constructs to Crystals &#8211; Towards Structure Determination of &#946;-barrel Outer Membrane Proteins
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From Constructs to Crystals – Towards Structure Determination of β-barrel Outer Membrane Proteins

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科学领域:

  • 材料科学 材料科学 材料科学
  • 计算材料科学科学 计算材料科学
  • 晶体学 晶体学是指结晶学.

背景情况:

  • 为类似的晶体表面构建共同的超级细胞对于设计二维异构结构至关重要.
  • 传统方法往往涉及计算上昂贵的粗暴力量方法,限制了效率.

研究的目的:

  • 开发一种确定性算法,以便在两个相似的晶体表面之间高效地构建共同的超级细胞.
  • 为了加速设计和发现新的2D异构结构及其相关的moiré模式.

主要方法:

  • 以复杂平面中的复杂向量来表示2D网格.
  • 定义表面之间的关系作为一个自向量-自值问题.
  • 从O ((log Nmax) 时间复杂度的格子参数和旋转角度直接确定转换矩阵.

主要成果:

  • 在Python中开发并实施了一种确定性算法,显著优于粗暴强力方法.
  • 该算法成功生成了实验性的2D异构结构及其moiré模式.
  • 使用密度函数理论 (DFT) 计算发现并预测了新的,可能稳定的莫雷模式.

结论:

  • 拟议的算法提供了一个计算效率高的工具,用于构建常见的超级细胞.
  • 这种方法有助于设计具有独特特性的新型二维异构结构.
  • 该方法预计将在材料设计和发现中广泛适用.