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相关概念视频

Design Consideration01:22

Design Consideration

212
Designing a structure involves a series of considerations, primarily the material's ultimate strength, calculated through tests that measure changes under increased force until the material reaches its breaking point or limit. The ultimate load, where the material breaks, is divided by its original cross-sectional area, resulting in the ultimate normal stress or strength. The ultimate shearing stress is another significant factor taken into account.
The factor of safety is another key...
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PI Controller: Design01:24

PI Controller: Design

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Proportional Integral (PI) controllers are a fundamental component in modern control systems, widely used to enhance performance and mitigate steady-state errors. They are particularly effective in applications such as automatic brightness adjustment on smartphones, where they excel at mitigating steady-state errors for step-function inputs. Unlike PD controllers, which require time-varying errors to function optimally, PI controllers leverage their integral component to address residual...
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Polymer Classification: Architecture01:14

Polymer Classification: Architecture

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Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...
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Design Example: Automobile Ignition System01:14

Design Example: Automobile Ignition System

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The automobile's ignition system plays a vital role by ensuring the timely ignition of the fuel-air mixture in each cylinder. This ignition is facilitated by a spark plug, which is composed of two electrodes separated by an air gap. A spark forms across this air gap when a substantial voltage is generated between the electrodes, leading to the ignition of the fuel.
One can generate a large voltage using a car battery of 12 volts with the help of inductors. Inductors are known for opposing...
255
Design Example: Sustainability in Concrete Building01:26

Design Example: Sustainability in Concrete Building

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As the construction industry moves towards more eco-friendly practices, concrete's adaptability and its ability to incorporate sustainable features make it a key material in the drive towards greener building solutions.
There are multiple approaches to achieve sustainability in a commercial concrete building. For instance, construct a concrete parking area under the building, utilizing pervious concrete paver blocks in open areas to facilitate rainwater collection through an underground...
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Ampere-Maxwell's Law: Problem-Solving01:17

Ampere-Maxwell's Law: Problem-Solving

676
A parallel-plate capacitor with capacitance C, whose plates have area A and separation distance d, is connected to a resistor R and a battery of voltage V. The current starts to flow at t = 0. What is the displacement current between the capacitor plates at time t? From the properties of the capacitor, what is the corresponding real current?
To solve the problem, we can use the equations from the analysis of an RC circuit and Maxwell's version of Ampère's law.
For the first part of...
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A Protocol for Bioinspired Design: A Ground Sampler Based on Sea Urchin Jaws
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一个灯有机框架的计算设计.

Lam H Nguyen1,2,3, Thanh N Truong4

  • 1Institute for Computational Science and Technology, Ho Chi Minh City 700000, Vietnam.

ACS omega
|July 10, 2023
PubMed
概括

研究人员使用计算量子化学设计了新的灯有机框架 (LOF) 材料. 确定了用于垂直框架构建的最佳桥梁配置,这表明了多孔材料和宿主-客户化学的潜力.

科学领域:

  • 计算化学是一种计算化学.
  • 材料科学是一种材料科学.
  • 有机化学 有机化学

背景情况:

  • 灯有机框架 (LOF) 是一种在宿主-客人化学中具有潜在应用的材料类.
  • 设计新的LOF结构需要了解分子架构和材料特性之间的关系.

研究的目的:

  • 为了计算设计新的灯有机框架 (LOF) 材料.
  • 为了确定垂直框架建设的最佳分子设计.
  • 评估这些LOF材料在特定应用中的潜力.

主要方法:

  • 采用了计算量子化学方法.
  • 使用密度函数理论 (DFT) 方法与B3LYP-D3/6-31+G(d) 层次理论.
  • 设计了新型灯分子,具有不同数量的sp3和sp碳桥,连接环基.

主要成果:

  • 成功设计了新的灯分子,其中包括sp3和sp碳桥,将环基与或原子连接起来.
  • 确定了五sp3-碳和四sp-碳桥梁是垂直灯框架建设的最佳选择.
  • 观察到垂直堆叠的环中相对不变的HOMO-LUMO间隙,表明它们适用于多孔材料和宿主-客人化学.
  • 静电电位面图显示,设计的LOF材料在整体上是静电中性的.

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结论:

  • 计算量子化学为设计新型灯有机框架 (LOF) 材料提供了有效的途径.
  • 特定的桥梁配置 (五sp3-碳和四sp-碳) 是垂直LOF建设的最佳选择.
  • 设计的LOF材料由于稳定的电子特性和静电中立性,具有适用于多孔材料和宿主-客户化学的性能.