Molecular dynamics simulation of polymer nanoparticle collisions: orbital angular momentum effects

The collisional dynamics of polymer nanoparticles is investigated using molecular dynamics, with a particular focus on angular momentum effects. Unlike zero impact parameter collisions discussed elsewhere, which are greatly weighted toward sticking collisions, the outcome of collisions with non-zero...

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Published inPolymer (Guilford) Vol. 43; no. 10; pp. 3115 - 3121
Main Authors Hathorn, B.C., Sumpter, B.G., Barnes, M.D., Noid, D.W.
Format Journal Article
LanguageEnglish
Published Oxford Elsevier Ltd 01.05.2002
Elsevier
Subjects
Angular momentum
Applied sciences
Collisional dynamics
Exact sciences and technology
Miscellaneous
Organic polymers
Physicochemistry of polymers
Properties and characterization
Scattering trajectories
Scattering trajectories
Collisional dynamics
Angular momentum
Theoretical study
Polymer
Computer simulation
Nanoparticle
Particle collision
Molecular dynamics method
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Abstract The collisional dynamics of polymer nanoparticles is investigated using molecular dynamics, with a particular focus on angular momentum effects. Unlike zero impact parameter collisions discussed elsewhere, which are greatly weighted toward sticking collisions, the outcome of collisions with non-zero angular momentum show much greater variability, showing both reactive (where polymer chains are exchanged between particles) and purely scattering trajectories. In the case of inelastic scattering trajectories, the profile for translation to vibration energy transfer is calculated.
AbstractList The collisional dynamics of polymer nanoparticles is investigated using molecular dynamics, with a particular focus on angular momentum effects. Unlike zero impact parameter collisions discussed elsewhere, which are greatly weighted toward sticking collisions, the outcome of collisions with non-zero angular momentum show much greater variability, showing both reactive (where polymer chains are exchanged between particles) and purely scattering trajectories. In the case of inelastic scattering trajectories, the profile for translation to vibration energy transfer is calculated.
Author Sumpter, B.G.
Barnes, M.D.
Hathorn, B.C.
Noid, D.W.
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  organization: Oak Ridge National Laboratory, Division of Computer Science and Mathematics, Oak Ridge, TN 37831, USA
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CitedBy_id crossref_primary_10_1016_S0032_3861_03_00428_2
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Issue 10
Keywords Scattering trajectories
Collisional dynamics
Angular momentum
Theoretical study
Polymer
Computer simulation
Nanoparticle
Particle collision
Molecular dynamics method
Language English
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Snippet The collisional dynamics of polymer nanoparticles is investigated using molecular dynamics, with a particular focus on angular momentum effects. Unlike zero...
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SubjectTerms Angular momentum
Applied sciences
Collisional dynamics
Exact sciences and technology
Miscellaneous
Organic polymers
Physicochemistry of polymers
Properties and characterization
Scattering trajectories
Title Molecular dynamics simulation of polymer nanoparticle collisions: orbital angular momentum effects
URI https://dx.doi.org/10.1016/S0032-3861(02)00030-7
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