Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

Zhimin Chen; Tao Du; Søren Strandskov Sørensen; Rasmus Christensen; Qi Zhang; Lars Rosgaard Jensen; Mathieu Bauchy; Morten Mattrup Smedskjær

Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

Zhimin Chen, Tao Du, Søren Strandskov Sørensen, Rasmus Christensen, Qi Zhang, Lars Rosgaard Jensen, Mathieu Bauchy, Morten Mattrup Smedskjær^*

^*Corresponding author for this work

Research output: Contribution to conference without publisher/journal › Poster › Research › peer-review

Abstract

Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.

Original language	English
Publication date	18 May 2022
Publication status	Published - 18 May 2022
Event	The International Year of Glass Symposium - Aalborg University, Aalborg, Denmark Duration: 18 May 2022 → 19 May 2022 https://www.danskkeramiskselskab.dk/media/14104/program_march_2022_v2.pdf

Conference

Conference	The International Year of Glass Symposium
Location	Aalborg University
Country/Territory	Denmark
City	Aalborg
Period	18/05/2022 → 19/05/2022
Internet address	https://www.danskkeramiskselskab.dk/media/14104/program_march_2022_v2.pdf

Keywords

Glassy electrolytes
Fracture Toughness
Topology

AUB Link

Search for the material in Aalborg University Library's search engine

Mechanical Properties of Glassy Solid Electrolytes
Smedskjær, M. M. (PI) & Chen, Z. (Project Participant)
01/10/2021 → 30/09/2024
Project: PhD Project

Cite this

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title = "Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes",

abstract = "Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.",

keywords = "Glassy electrolytes, Fracture Toughness, Topology",

author = "Zhimin Chen and Tao Du and S{\o}rensen, {S{\o}ren Strandskov} and Rasmus Christensen and Qi Zhang and Jensen, {Lars Rosgaard} and Mathieu Bauchy and Smedskj{\ae}r, {Morten Mattrup}",

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note = "The International Year of Glass Symposium ; Conference date: 18-05-2022 Through 19-05-2022",

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T1 - Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

AU - Chen, Zhimin

AU - Du, Tao

AU - Sørensen, Søren Strandskov

AU - Christensen, Rasmus

AU - Zhang, Qi

AU - Jensen, Lars Rosgaard

AU - Bauchy, Mathieu

AU - Smedskjær, Morten Mattrup

PY - 2022/5/18

Y1 - 2022/5/18

N2 - Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.

AB - Improvement in the mechanical properties of solid-state electrolytes for batteries is needed. Fracture toughness (KIc) is emerging as a determining factor for evaluating the performance of solid-state batteries by quantifying the resistance to crack propagation. We have measured KIc by means of the SEPB method1 for lithium borophosphate (LiBP, xLi2O-(100-x)(0.5B2O3-0.5P2O5), x = 38, 40, 42.5, 45 for specific) glassy electrolytes. Molecular dynamics (MD) simulations combined with bond switching2, rings statistic3, and persistent homology analyses have been used to reveal the atomic origin of the variation in fracture toughness and ionic conductivity with composition.

KW - Glassy electrolytes

KW - Fracture Toughness

KW - Topology

M3 - Poster

T2 - The International Year of Glass Symposium

Y2 - 18 May 2022 through 19 May 2022

ER -

Atomistic origin of variation in toughness and ionic conductivity in lithium borophosphate glassy electrolytes

Abstract

Conference

Keywords

AUB Link

Fingerprint

Projects

Mechanical Properties of Glassy Solid Electrolytes

Cite this