Molecular dynamics study on thermal conductivity of KH2PO4 with vacancy defects

Yifan Zhang; Tingting Sui; Xin Ju; Baoan Liu

doi:10.1039/d5ce01207d

January 1, 2026CrystEngComm

Molecular dynamics study on thermal conductivity of KH2PO4 with vacancy defects

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Key Points

The aim is to understand how vacancy defects influence the thermal conductivity properties of KDP crystals.
Utilized molecular dynamics simulations to model KDP crystals
Introduced vacancy defects into the crystal structure
Measured changes in thermal conductivity
Vacancy defects led to a measurable decrease in thermal conductivity
Findings indicate that defects disrupt thermal transport efficiency
Results can inform improvements in laser system design

Implication

Investigates the impact of vacancy defects on thermal conductivity in KDP crystals, suggesting implications for laser system performance.

Abstract

Potassium dihydrogen phosphate (KDP) crystals are crucial components in high-power laser systems, where thermal transport significantly affects their performance and reliability. This study investigates the thermal conductivity of KDP crystals,...

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Cite This Study

Zhang et al. (2026) studied this question.

synapsesocial.com/papers/69ba44084e9516ffd37a5d7b https://doi.org/10.1039/d5ce01207d

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Molecular dynamics study on thermal conductivity of KH2PO4 with vacancy defects

Key Points

Implication

Abstract

Discussion

Cite This Study

Molecular dynamics study on thermal conductivity of KH2PO4 with vacancy defects

Key Points

Implication

Abstract

Discussion

Cite This Study

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