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Research article

First published 2023-1

New insights into the pyrolysis of n -tetradecane using ReaxFF molecular dynamics simulations: Implications for understanding the thermal cracking of subsurface crude oil

Meijun Li, Qiuya Han, Xiaoqiang Liu [...]

Energy Exploration & Exploitation

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Research article

First published 2019-3

Optimizing the performance of reactive molecular dynamics simulations for many-core architectures

Hasan Metin Aktulga, Chris Knight, Paul Coffman [...]

The International Journal of High Performance Computing Applications

Open access

Research article

First published 2024-12

Mechanical strength changes of combustible municipal solid waste components during their early pyrolysis stage and mechanism analysis

Yifan Jia, Dezhen Chen, Sijia Xu [...]

Waste Management & Research: The Journal for a Sustainable Circular Economy

Free access

Research article

First published 2014-2

Atomistic Structure and Thermodynamic Properties of Siloxane Pyrolyzed Amorphous Silicon Oxycarbide

Xiaoguang Luo, Bangcheng Ai, Jijun Yu [...]

Polymers and Polymer Composites

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Research article

First published 2026-5

Molecular dynamics study on corrosion mechanism of Ni-Co composite cladding layer at different corrosion stages

Menghui Yu, Chang Li, Jiabo Liu [...]

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

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Research article

First published 2021-8

Reactive molecular dynamics simulation on the pyrolysis characteristics of epoxy resin under the effect of partial discharge active products

YQ Xing, JK Chi, M Xiao

High Performance Polymers

Free access

Research article

First published 2008-6

Multi-Paradigm Modeling of Fracture of a Silicon Single Crystal under Mode II Shear Loading

Markus J. Buehler, Alan Cohen, Dipanjan Sen

Journal of Algorithms & Computational Technology

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Research article

First published 2010-9

Nanomechanics of biologically inspired helical silica nanostructures

I Mohedas, A P Garcia, M J Buehler

Proceedings of the Institution of Mechanical Engineers,Part N: Journal of Nanomaterials,Nanoengineering and Nanosystems

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