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Estimating thermal properties of plumbene by multiscale modeling using molecular dynamics simulation technique
Mechanics of Advanced Materials and Structures ( IF 3.6 ) Pub Date : 2021-04-24 , DOI: 10.1080/15376494.2020.1852347
Dhiman Kumar Das 1 , Ashis Mallick 1 , Sachin Kumar Singh 1
Affiliation  

Abstract

To estimate the thermal properties of plumbene under different temperatures, a plumbene sheet is developed by multi-scale modeling. Plumbene sheets of variable sample sizes are also investigated to obtain a broader view of thermal properties of the material for useful application in several engineering fields. Melting point, specific heat at constant volume and pressure, heat of fusion and the coefficient of linear and surface expansion within a temperature range of 318–398 K are also determined. Present applied techniques will guide experimental approaches for designing of plumbene sheets with specific thermophysical properties for targeted applications.



中文翻译:

使用分子动力学模拟技术通过多尺度建模估算铅烯的热性质

摘要

为了估计铅烯在不同温度下的热特性,通过多尺度建模开发了一种铅烯片材。还研究了不同样品尺寸的铅烯片材,以获得更广泛的材料热性能视图,以便在多个工程领域中得到有用的应用。熔点、恒定体积和压力下的比热、熔化热以及 318-398 K 温度范围内的线性和表面膨胀系数也被确定。目前的应用技术将指导实验方法,用于设计具有特定热物理特性的铅烯片,用于目标应用。

更新日期:2021-04-24
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