[HTML][HTML] Functionalized carbon nanostructures as lubricant additives–A review

N Nyholm, N Espallargas - Carbon, 2023 - Elsevier
In recent years, increased environmental concern and regulations have fueled a search for
new lubricant additives with reduced environmental impact. Owing to their attractive …

Review of force fields and intermolecular potentials used in atomistic computational materials research

JA Harrison, JD Schall, S Maskey, PT Mikulski… - Applied Physics …, 2018 - pubs.aip.org
Molecular simulation is a powerful computational tool for a broad range of applications
including the examination of materials properties and accelerating drug discovery. At the …

[LIVRE][B] Modeling mems and nems

JA Pelesko, DH Bernstein - 2002 - api.taylorfrancis.com
Designing small structures necessitates an a priori understanding of various device
behaviors. The way to gain such understanding is to construct, analyze, and interpret the …

Molecular dynamics simulations of the elastic moduli of polymer–carbon nanotube composites

M Griebel, J Hamaekers - Computer methods in applied mechanics and …, 2004 - Elsevier
The elastic moduli of polymer–carbon nanotube composites are examined by molecular
dynamics simulations of a single-walled carbon nanotube embedded in polyethylene. The …

[HTML][HTML] On the modeling of carbon nanotubes: a critical review

R Rafiee, RM Moghadam - Composites Part B: Engineering, 2014 - Elsevier
A comprehensive review is conducted on the modeling and simulation of isolated carbon
nanotubes (CNTs) concentrating on all mechanical, buckling, vibrational and thermal …

Self‐healing materials systems: Overview of major approaches and recent developed technologies

B Aïssa, D Therriault, E Haddad… - Advances in Materials …, 2012 - Wiley Online Library
The development of self‐healing materials is now being considered for real engineering
applications. Over the past few decades, there has been a huge interest in materials that can …

Thermo-mechanical vibration of a single-walled carbon nanotube embedded in an elastic medium based on nonlocal elasticity theory

T Murmu, SC Pradhan - Computational Materials Science, 2009 - Elsevier
A single-elastic beam model has been developed to analyze the thermal vibration of single-
walled carbon nanotubes (SWCNT) based on thermal elasticity mechanics, and nonlocal …

Transferring liquid metal to form a hybrid solid electrolyte via a wettability‐tuning technology for lithium‐metal anodes

X **, Z Cai, X Zhang, J Yu, Q He, Z Lu… - Advanced …, 2022 - Wiley Online Library
Integrating solid‐state electrolyte (SSE) into Li‐metal anodes has demonstrated great
promise to unleash the high energy density of rechargeable Li‐metal batteries. However …

Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

H Rafii-Tabar - Physics Reports, 2004 - Elsevier
Over the recent years, numerical modelling and computer-based simulation of the properties
of carbon nanotubes have become the focal points of research in computational nano …

Important issues in a molecular dynamics simulation for characterising the mechanical properties of carbon nanotubes

K Mylvaganam, LC Zhang - Carbon, 2004 - Elsevier
This paper discusses several important issues in a molecular dynamics simulation for
analysing carbon nanotubes and their mechanical properties. In particular, the paper …