A machine learning framework for predicting the shear strength of carbon nanotube-polymer interfaces based on molecular dynamics simulation data

Composites Science and Technology ◽

10.1016/j.compscitech.2020.108627 ◽

2020 ◽

pp. 108627

Author(s):

Aowabin Rahman ◽

Prathamesh Deshpande ◽

Matthew S. Radue ◽

Gregory M. Odegard ◽

S. Gowtham ◽

...

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Shear Strength ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Polymer Interfaces ◽

Simulation Data ◽

Learning Framework

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MOLECULAR DYNAMICS SIMULATION OF POLYMER/CARBON NANOTUBE COMPOSITES

Nanomechanics Science and Technology An International Journal ◽

10.1615/nanomechanicsscitechnolintj.v4.i1.20 ◽

2013 ◽

Vol 4 (1) ◽

pp. 29-45

Author(s):

Sumit Sharma ◽

Rakesh Chandra ◽

Pramod Kumar ◽

Navin Kumar

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nanotube Composites ◽

Carbon Nanotube Composites

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Molecular dynamics simulation and machine learning of mechanical response in non-equiatomic FeCrNiCoMn high entropy alloy

Journal of Materials Research and Technology ◽

10.1016/j.jmrt.2021.06.021 ◽

2021 ◽

Author(s):

Liang Zhang ◽

Kun Qian ◽

Jun Huang ◽

Mao Liu ◽

Yasushi Shibuta

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Mechanical Response ◽

Dynamics Simulation ◽

High Entropy Alloy ◽

High Entropy

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Crystallization of the P3Sn4 Phase upon Cooling P2Sn5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c08873 ◽

2021 ◽

Vol 125 (5) ◽

pp. 3127-3133

Author(s):

Chao Zhang ◽

Yang Sun ◽

Hai-Di Wang ◽

Feng Zhang ◽

Tong-Qi Wen ◽

...

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interatomic Potential ◽

Dynamics Simulation

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Molecular dynamics simulation data of self-diffusion coefficient for Lennard–Jones chain fluids

Fluid Phase Equilibria ◽

10.1016/j.fluid.2004.04.007 ◽

2004 ◽

Vol 221 (1-2) ◽

pp. 25-33 ◽

Cited By ~ 17

Author(s):

R.A. Reis ◽

F.C. Silva ◽

R. Nobrega ◽

J.Vladimir Oliveira ◽

F.W. Tavares

Keyword(s):

Molecular Dynamics ◽

Diffusion Coefficient ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Data ◽

Self Diffusion ◽

Lennard Jones ◽

Chain Fluids ◽

Self Diffusion Coefficient

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Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp106177n ◽

2010 ◽

Vol 114 (44) ◽

pp. 14048-14058 ◽

Cited By ~ 43

Author(s):

K. Balamurugan ◽

R. Gopalakrishnan ◽

S. Sundar Raman ◽

V. Subramanian

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Helical Peptides ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Classical Molecular Dynamics

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Molecular dynamics simulation for the analysis of mechanical properties and effect of Stone-Wales and bi-vacancy defect on carbon nanotube reinforced iron composites

10.1063/5.0037829 ◽

2021 ◽

Author(s):

Raashiq Ishraaq ◽

Santosh Chhetri ◽

Omkar Gautam ◽

Shahriar Muhammad Nahid ◽

A. M. Afsar

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Vacancy Defect ◽

Dynamics Simulation

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Voronoi Polyhedron Investigation of the Short-Range Order in Liquid Bismuth Using Molecular Dynamics Simulation Data

Russian Metallurgy (Metally) ◽

10.1134/s0036029521080085 ◽

2021 ◽

Vol 2021 (8) ◽

pp. 987-991

Author(s):

B. R. Gelchinskii ◽

A. A. Yuryev ◽

E. M. Zhilina ◽

K. V. Beltyukova

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

Dynamics Simulation ◽

Simulation Data ◽

Voronoi Polyhedron ◽

Liquid Bismuth

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An Automatic Classification of Molecular Dynamics Simulation Data into States, and Its Application to the Construction of a Markov State Model

Journal of the Physical Society of Japan ◽

10.7566/jpsj.87.114802 ◽

2018 ◽

Vol 87 (11) ◽

pp. 114802

Author(s):

Reika Ito ◽

Takashi Yoshidome

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Automatic Classification ◽

State Model ◽

Dynamics Simulation ◽

Simulation Data ◽

Markov State Model ◽

Markov State

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Molecular Dynamics Simulation of Reverse-Osmotic Salt Rejection and Water Transport through Double-Walled Carbon Nanotube

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201504141 ◽

2015 ◽

Vol 31 (6) ◽

pp. 1025-1034

Author(s):

SHEN Zhuang-Lin ◽

◽

HE Gao-Hong ◽

ZHANG Ning ◽

HAO Ce

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Water Transport ◽

Dynamics Simulation ◽

Salt Rejection

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Molecular dynamics simulation of metallic Al-Ce liquids using a neural network machine learning interatomic potential

The Journal of Chemical Physics ◽

10.1063/5.0066061 ◽

2021 ◽

Author(s):

Ling Tang ◽

K. M. Ho ◽

Cai-Zhuang Wang

Keyword(s):

Neural Network ◽

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interatomic Potential ◽

Dynamics Simulation

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