Molecular dynamics simulation on thermal enhancement for carbon nano tubes (CNTs) based phase change materials (PCMs)

Y Du, T Zhou, C Zhao, Y Ding - International Journal of Heat and Mass …, 2022 - Elsevier
In the study, CNTs based nanocomposite phase change materials (NPCMs) is considered
for breaking through the constraint of the low thermal conductivity of conventional PCMs for …

Temperature and pressure effect on tensile behavior of ice-Ih under low strain rate: A molecular dynamics study

P Wei, D Zhuang, YY Zheng, A Zaoui, W Ma - Journal of Molecular Liquids, 2022 - Elsevier
The mechanical behavior of ice is complex, especially with the effect of temperature and
pressure, which may significantly affect the safety in various engineering, where slow …

Monte Carlo simulations of Cu/Ni–Si–Mn co-precipitation in duplex stainless steels

WE Frazier, TG Lach, TS Byun - Acta Materialia, 2020 - Elsevier
Abstract First-Passage Kinetic Monte Carlo (FPKMC) simulations of species migration in
duplex stainless steels were performed in order to establish relationships between alloy …

Microscopic Thermo‐Mechanical Properties and Phase Transition of Bulk Ice‐Ih

P Wei, W Niu, C Yao, Z He, YY Zheng… - International Journal for …, 2024 - Wiley Online Library
The ice–water phase transition of bulk ice could develop with varying temperatures and
external loads, significantly affecting its mechanical properties. The coupling effect of …

Experimental and Numerical Study of the Uniaxial Compressive Strength of Ice with Initial Fibrous Pore: Effects of Temperature and Loading Rate

H Han, L Shen, J Liu, Z Xu, D Sumarac… - Journal of Cold Regions …, 2024 - ascelibrary.org
Ice compressive strength is a key property for investigating the interaction between ice and
structures. In this research, a digital image correlation (DIC) technique is developed to …

Atomistic study on the anomalous temperature-dependent dynamic tensile strength of ice under shock loading

YY Chen, KL Xiao, JZ Yue, QY Yin, XQ Wu… - Philosophical …, 2021 - Taylor & Francis
Although the compressive strength of ice under both quasi-static [M. Arakawa and N. Maeno,
Mechanical strength of polycrystalline ice under uniaxial compression. Cold Reg. Sci. Tech …

Comparative study of the ReaxFF and potential models with density functional theory for simulating hexagonal ice

C Wang, Y Xue, C Wang, D Han - Computational Materials Science, 2020 - Elsevier
This paper compares ReaxFF, SPC/E, TIP4P/2005 and TIP4P/Ice with Density Functional
Theory (DFT) to identify which one should be used to model both the microstructures and …

Exploring Rate-Dependent Tensile Strength Anomalies in Ice: Insights from Molecular Dynamics Modelling

Z Bian, G Zhao, F Rui, Y Huang - Available at SSRN 4634949 - papers.ssrn.com
Ice exhibits a distinctive mechanical anomaly in its dynamic tensile strength, characterized
by a decrease as strain rates increase which is opposite to many materials like most metals …