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Updated: May 17, 2025

Identification and Quantification of Decomposition Mechanisms in Lithium-Ion Batteries; Input to Heat Flow Simulation for Modeling Thermal Runaway
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通过Delta学习准确预测离子电池的开放电路电压

Wai Yuet Chiu1, Chongzhi Zhang2, Rongzhi Gao1

  • 1Department of Chemistry, The University of Hong Kong, Pok Fu Lam Road, Hong Kong SAR 000000, China.

Journal of chemical theory and computation
|May 15, 2025
PubMed
概括

在合成之前准确预测离子电池容量可以加速发现. 一种新的三角学习方法校准了分子动力学模拟,显著改善了开放电路电压预测,并使电池开发速度更快.

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相关概念视频

The Y-to-Delta Circuit01:19

The Y-to-Delta Circuit

A balanced wye-to-delta circuit comprises balanced Y-connected voltage sources and delta-connected loads with no neutral line connection.
The initial step in analyzing a wye-to-delta circuit is to assume a positive phase sequence. These phase voltages are then utilized to calculate the line voltages that occur directly across the delta-connected load impedances. Van, Vbn, and Vcn are the phase voltages in wye, and Vab, Vbc, and Vca are the line voltages for a delta circuit. The relation between...
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The Delta-to-Y Circuit01:16

The Delta-to-Y Circuit

In the delta-wye circuit, the source is delta-connected, while the load is in a wye configuration. This means that the phase voltage of the delta-connected source is equal to the line voltage of the wye-connected load. The connection between two-line currents originates from the delta-connected source. The phase difference in the balanced system allows for calculating one line current given the other, utilizing the positive sequence of phases. In the delta-wye system, the phase currents in the...
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The Delta-to-Delta Circuit01:17

The Delta-to-Delta Circuit

In a delta-delta configuration, the source and the load are connected in a delta manner, forming a closed loop that divides the network into three distinct phases. This configuration makes the phase voltages identical to line voltages. Assuming the sources are in positive sequence, the phase voltages can be expressed directly without having a neutral wire.
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End Point Prediction: Gran Plot01:07

End Point Prediction: Gran Plot

A Gran plot is used to predict the equivalence volume or endpoint of a potentiometric or acid-base titration without reaching the endpoint. Typically, titration data is collected as a function of the titrant's volume up to a point less than the equivalence volume and then transformed into a linear format. The straight line is extended to the x-axis, indicating the necessary titrant volume to achieve the equivalence point.
For potentiometric titration, the Gran plot is created by plotting...
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DC Battery01:21

DC Battery

A conductor needs to be a component of a path that creates a closed loop or full circuit to have a continuous current flowing through it. A current starts to flow if an electric field is created inside an isolated conductor that is not part of a full circuit. The conductor quickly develops a net positive charge at one end and a net negative charge at the other. These charges generate an electric field opposite the direction of the applied electric field, which reduces the current. Eventually,...
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Batteries and Fuel Cells03:12

Batteries and Fuel Cells

A battery is a galvanic cell that is used as a source of electrical power for specific applications. Modern batteries exist in a multitude of forms to accommodate various applications, from tiny button batteries such as those that power wristwatches to the very large batteries used to supply backup energy to municipal power grids. Some batteries are designed for single-use applications and cannot be recharged (primary cells), while others are based on conveniently reversible cell reactions that...
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