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Science of Multiphysics Behavior of Si/C Composite Active Particles in Anodes.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Science of Multiphysics Behavior of Si/C Composite Active Particles in Anodes./
作者:	Gao, Xiang.
面頁冊數:	1 online resource (199 pages)
附註:	Source: Dissertations Abstracts International, Volume: 82-11, Section: B.
Contained By:	Dissertations Abstracts International82-11B.
標題:	Molecular physics. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=28490447click for full text (PQDT)
ISBN:	9798728230380

Science of Multiphysics Behavior of Si/C Composite Active Particles in Anodes.
Gao, Xiang.

Science of Multiphysics Behavior of Si/C Composite Active Particles in Anodes. - 1 online resource (199 pages)

Source: Dissertations Abstracts International, Volume: 82-11, Section: B.

Thesis (Ph.D.)--The University of North Carolina at Charlotte, 2021.

Includes bibliographical references

The rapidly growing demands on energy storage technologies over the last decade have imposed further requirements for the high energy/power density, safety, and durability of lithium-ion batteries (LIBs). Si/C composite materials have attracted enormous research interest as the most promising candidates for the anodes of next-generation lithium-ion batteries, owing to their high energy density and mechanical buffering property. However, the major disadvantage of materials with ultra-high capacities, such as Si-based materials, is the significant volume change during cycling, which further leads to mechanical and electrochemical degradation. A comprehensive computational model is indispensable in the developing process of the excellent performance of anode material due to the low realizability, inconvenience, and high cost of experiments, which also provides powerful tools for fabrication guidance of novel Si/C composites designs. Further, the fundamental mechanism of Li diffusion and complex failure behaviors in various Si/C composite materials remains unclear, with our understanding limited by experimental techniques and continuum modeling methodologies. Thus, DFT simulation is firstly used to investigate the Li diffusion behavior in Si/C composite materials, which indicates the underlying mechanism and provides a quantitative description of the diffusivity. A multiphysics modeling framework is then established. The relationship between mechanical failure and electrochemical performance in Si/C core-shell particles is revealed using this model. Further, based on this multiphysics model, the contact behavior of two Si/C core-shell particles is studied, and five representative nanostructures are compared, providing design guidance on Si/C core-shell and related structures. Finally, the model is extended into a multi-scale one, which can describe the multiphysics behavior both at the particle level and cell level. This study explores the multiphysics behavior of Si/C anodes material from the atomic level to cell level using DFT modeling and FEA methodology, systematically revealing the coupling mechanism among various physical fields, as well as providing efficient and powerful tools in the design, development, and evaluation of high energy density lithium-ion batteries.

Electronic reproduction.
Ann Arbor, Mich. :
ProQuest,
2023

Mode of access: World Wide Web

ISBN: 9798728230380Subjects--Topical Terms:

3174737
Molecular physics.
Subjects--Index Terms:

Lithium-ion batteryIndex Terms--Genre/Form:

542853
Electronic books.

Science of Multiphysics Behavior of Si/C Composite Active Particles in Anodes.
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520 $a The rapidly growing demands on energy storage technologies over the last decade have imposed further requirements for the high energy/power density, safety, and durability of lithium-ion batteries (LIBs). Si/C composite materials have attracted enormous research interest as the most promising candidates for the anodes of next-generation lithium-ion batteries, owing to their high energy density and mechanical buffering property. However, the major disadvantage of materials with ultra-high capacities, such as Si-based materials, is the significant volume change during cycling, which further leads to mechanical and electrochemical degradation. A comprehensive computational model is indispensable in the developing process of the excellent performance of anode material due to the low realizability, inconvenience, and high cost of experiments, which also provides powerful tools for fabrication guidance of novel Si/C composites designs. Further, the fundamental mechanism of Li diffusion and complex failure behaviors in various Si/C composite materials remains unclear, with our understanding limited by experimental techniques and continuum modeling methodologies. Thus, DFT simulation is firstly used to investigate the Li diffusion behavior in Si/C composite materials, which indicates the underlying mechanism and provides a quantitative description of the diffusivity. A multiphysics modeling framework is then established. The relationship between mechanical failure and electrochemical performance in Si/C core-shell particles is revealed using this model. Further, based on this multiphysics model, the contact behavior of two Si/C core-shell particles is studied, and five representative nanostructures are compared, providing design guidance on Si/C core-shell and related structures. Finally, the model is extended into a multi-scale one, which can describe the multiphysics behavior both at the particle level and cell level. This study explores the multiphysics behavior of Si/C anodes material from the atomic level to cell level using DFT modeling and FEA methodology, systematically revealing the coupling mechanism among various physical fields, as well as providing efficient and powerful tools in the design, development, and evaluation of high energy density lithium-ion batteries.
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