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Research article

First published 2015-6

Molecular dynamics simulation of simple polymer chain formation using divide and conquer algorithm based on the augmented Lagrangian method

Paweł Malczyk, Janusz Frączek

Proceedings of the Institution of Mechanical Engineers,Part K: Journal of Multi-body Dynamics

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Research article

First published 2019-2

A new semi-explicit atomistic molecular dynamics simulation method for membrane proteins

Nilay K. Roy

Journal of Computational Methods in Sciences and Engineering

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Review article

First published 2021-9

Using the group contribution method and molecular dynamics to predict the glass transition temperatures and mechanical properties of poly-( p -phenylenediamine-alt-2,6-diformyl multiphenyl)

Duan Li, Hui-Ting Li, Hongmei Wu [...]

Journal of Chemical Research

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Research article

First published 2008-6

The study of deformation and stress—strain distribution of nano-scale thin sheet copper under the biaxial tensile loads by using molecular dynamics and finite-element method

Z-C Lin, J-C Huang, Y-C Chao

Proceedings of the Institution of Mechanical Engineers,Part C: Journal of Mechanical Engineering Science

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Research article

First published 2021-6

Study on phase transformation in cutting Ni-base superalloy based on molecular dynamics method

ZhaoPeng Hao, ZaiZhen Lou, YiHang Fan

Proceedings of the Institution of Mechanical Engineers,Part C: Journal of Mechanical Engineering Science

Open access

Research article

First published 2019

Nanoindentation on the bio-inspired high-performance nature composite by molecular dynamics method

Amin Nouroozi Masir, Abolfazl Darvizeh, Asghar Zajkani

Composites and Advanced Materials

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Research article

First published 2017-3

Hierarchical multiscale simulations of crystalline β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX): Generalized interpolation material point method simulations of brittle fracture using an elastodamage model derived from molecular dynamics

Shan Jiang, Jun Tao, Thomas D Sewell [...]

International Journal of Damage Mechanics

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Research article

First published 2000-3

Fourier Transform Infrared Spectroscopy as a Method for Monitoring the Molecular Dynamics of Lymphocyte Activation

Bayden R. Wood, Brian Tait, Donald McNaughton

Applied Spectroscopy

Free access

Research article

First published 2006-7

Multiscale simulation on nanometric cutting of single crystal copper

Xizhi Sun, Shijin Chen, Kai Cheng [...]

Proceedings of the Institution of Mechanical Engineers,Part B: Journal of Engineering Manufacture

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Review article

First published 2024-5

Modeling techniques in nanofinishing processes - a review

Nitesh Kumar Dubey, Ajay Sidpara

Surface Engineering

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