Molecular Dynamics Study of Thermophysical and Mechanical Properties in Hydrated Lignin with Compositions Close to Softwood

JL Bregado, F Souto, AR Secchi… - ACS Sustainable …, 2022 - ACS Publications
The hydrogen bonding network analysis of softwood lignin is relevant to designing novel
technologies to overcome the recalcitrance of plant biomass in the industrial deconstruction …

Water‐Assisted Reprocessing and Shape Programming of Epoxy Vitrimer

W Xu, X Zhou, Y Fang, J Xue, Q Liu… - Advanced Functional …, 2024 - Wiley Online Library
Vitrimers are reprocessing and recycling thermosetting plastics. They possess
reconfigurable polymer networks that allow for unlimited transformation in shape in principle …

Investigating the effect of chemical structures on water sorption and diffusion in amine-cured epoxy resins by molecular dynamics simulations

S Afsharhashemkhani, M Jamal-Omidi - Computational Materials Science, 2024 - Elsevier
Mechanical degradation of polymer materials by moisture ingress is inevitable due to their
chemical and physical properties. In this regard, it is necessary to better understand the …

[HTML][HTML] Mechanical behavior of nanocircular plates under coupled surface and nonlocal effects by using molecular dynamics simulations

F Tang, S He, S Shi, F Dong, X Xiao, S Liu - Physics Letters A, 2024 - Elsevier
The equations of control for a circular thin plate under simple support are obtained by
coupling the surface effect and non-local effect using the equilibrium method. Molecular …

Effects of moisture diffusion on a system-in-package module by moisture–thermal–mechanical-coupled finite element modeling

Z Chen, Z Feng, M Ruan, G Xu, L Liu - Micromachines, 2022 - mdpi.com
Epoxy molding compounds (EMCs) are commonly used in electronic products for chip
encapsulation, but the moisture absorption of EMC can induce significant reliability …

Computer‐Aided Design of Crosslinked Polymer Membrane Using Machine Learning and Molecular Dynamics

W Guo, S Chai, L Zhang, J Du - Chemie Ingenieur Technik, 2023 - Wiley Online Library
The formation of crosslinking network between polymer chains has significant influence on
polymer properties. In particular, the crosslinked structure of ionic networks like proton …

Multiscale analysis of the effect of interfacial thermal conductance between fillers and epoxy resin on the effective thermal conductivity of their composites

C Sheng, K Liang, G Wu, F Dong, Y Guo… - Diamond and Related …, 2022 - Elsevier
The heat dissipation performance of the epoxy molding compound (EMC) is very important
for high power application. In this paper, the thermal transport properties of thermoset epoxy …

The improvement mechanism of styrene grafted nano-Al2O3 on the hydrophobicity of epoxy resin composites: based on molecular dynamics and experimental …

M Bi, Z Tong, C Xie, Y Du, X Chen, T Jiang - Materials Today …, 2024 - Elsevier
In the environment with high humidity, water will penetrate into the epoxy resin, resulting in
the deterioration of the electrical properties and the decreasing resistance for the heat and …

Size-dependent buckling and post-buckling analysis of the functionally graded thin plate Al–Cu material based on a modified couple stress theory

F Tang, F Dong, Y Guo, S Shi, J Jiang, S Liu - Nanomaterials, 2022 - mdpi.com
Size-dependent functionally graded material thin plate buckling and post-buckling problems
are considered using the framework of the MCST (Modified Couple Stress Theory). Based …

Reusing Bisphenol—A Type of Epoxy Polymer Recyclates from the Solvolysis of CFRP

CM Cho, X Wang, SK Tsumura, W Thitsartarn… - Journal of Composites …, 2023 - mdpi.com
Carbon fiber-reinforced polymer (CFRP) composites are highly functional composites which
comprise two major components: the polymer matrix and the carbon fiber. Lightweight and …