Molecular dynamics calculations of energy transfer to polymer surfaces

Alan Gelb; B. G. Sumpter; D. W. Noid

doi:10.1016/0009-2614(90)85173-A

Molecular dynamics calculations of energy transfer to polymer surfaces

Alan Gelb, B. G. Sumpter, D. W. Noid

Center for Nanophase Matls Sciences

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6 Scopus citations

Abstract

Molecular dynamics simulations of collisions of nitrogen with a polyethylene surface are presented. Seven moving chains surrounded by 12 static chains are used to represent the polyethylene surfaces. Results are presented for collisional velocities between 2 and 10 km/s and compared to earlier results.

Original language	English
Pages (from-to)	103-108
Number of pages	6
Journal	Chemical Physics Letters
Volume	169
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(90)85173-A
State	Published - May 25 1990

Funding

encesU, S Departmento f Energy,u nder contractD E- AC05-840R2 1400 with Martin Marietta Energy Sys-terns, Inc. Partial support for AG wasp rovided by NASA througha subcontracftr om PolyatomicsR e- searchI nstitute, Grant No. NCC2-499. Some of the calculations were performed on the CRAY X-MP/ 48c omputerG, rant No. TRA-890046Na t The Uni- versity of Illinois at Urbana-Champaign, National Center for SupercomputingA pplications (NCSA). This work was supportedi n partb y the Polymers Programo f the NationalS cienceF oundationp, resent Grant No. DRM-881 841 2,a ndby the Division of MaterialsS ciencesO, ffIce of Basic EnergyS ci-

Funders	Funder number
NationalS cienceF oundationp
PolyatomicsR e- searchI nstitute
National Aeronautics and Space Administration

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10.1016/0009-2614(90)85173-A

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title = "Molecular dynamics calculations of energy transfer to polymer surfaces",

abstract = "Molecular dynamics simulations of collisions of nitrogen with a polyethylene surface are presented. Seven moving chains surrounded by 12 static chains are used to represent the polyethylene surfaces. Results are presented for collisional velocities between 2 and 10 km/s and compared to earlier results.",

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AU - Gelb, Alan

AU - Sumpter, B. G.

AU - Noid, D. W.

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N2 - Molecular dynamics simulations of collisions of nitrogen with a polyethylene surface are presented. Seven moving chains surrounded by 12 static chains are used to represent the polyethylene surfaces. Results are presented for collisional velocities between 2 and 10 km/s and compared to earlier results.

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Molecular dynamics calculations of energy transfer to polymer surfaces

Abstract

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