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Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

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Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
2.8K
Molecular Models02:00

Molecular Models

37.9K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
37.9K
Structures of Solids02:22

Structures of Solids

14.0K
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
Step-Growth Polymerization: Overview01:03

Step-Growth Polymerization: Overview

3.4K
Step-growth or condensation polymerization is a stepwise reaction of bi or multifunctional monomers to form long-chain polymers. As all the monomers are reactive, most of the monomers are consumed at the early stages of the reaction to form small chains of reactive oligomers, which then combine to form long polymer chains in the late stages. Hence, the reaction has to proceed for a long time to achieve high molecular weight polymers.
Many natural and synthetic polymers are produced by...
3.4K
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

16.9K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
16.9K
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

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相关实验视频

Updated: Jun 4, 2025

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

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结晶聚合物固体的粗粒模拟模型使用可破解键.

Takashi Uneyama1

  • 1JST-PRESTO, and Department of Materials Physics, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa, Nagoya 464-8603, Japan.

The journal of physical chemistry. B
|December 17, 2024
PubMed
概括
此摘要是机器生成的。

我们开发了一种用于晶体聚合物的粗粒模拟模型. 这个模型准确地复制了这些材料在应力下的产量行为,提供了对它们的机械性能的洞察.

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Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
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相关实验视频

Last Updated: Jun 4, 2025

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

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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
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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

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Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
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Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion

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科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学计算化学
  • 聚合物物理 聚合物物理

背景情况:

  • 晶体聚合物的机械性能是由状结构决定的.
  • 微型分子模型对于研究这些属性而言是计算密集型的.
  • 粗粒度模型提供了一个更有效的方法.

研究的目的:

  • 为晶体聚合物固体开发一种高度粗粒度的模拟模型.
  • 研究状聚合物结构的机械性能和变形行为.
  • 复制在晶体聚合物中观察到的特征性收益率行为.

主要方法:

  • 模拟晶体聚合物使用高粗粒度颗粒,其尺寸与晶体层厚度相当.
  • 代表网络结构,在状区域具有柔软的可伸缩键,在晶体区域具有硬的易碎键.
  • 执行单轴延长模拟,观察材料在应变下的反应.

主要成果:

  • 观察到水晶层在增加的应力下破碎成碎片.
  • 识别了破碎的晶体碎片的非非和集体运动.
  • 成功复制了结晶聚合物固体特有的产量行为.

结论:

  • 拟议的粗粒度模型有效模拟了晶体聚合物的机械反应.
  • 该模型捕捉了粘接类型和叶片结构变形之间的复杂相互作用.
  • 这种方法为研究聚合物固体力学提供了一种计算效率高的方法.