Full Content is available to subscribers

Subscribe/Learn More  >

Microscopic Observation of Energy Propagation in Polymeric Fluids Crossing a Barrier

[+] Author Affiliations
Rashad Aouf, Vojislav Ilic

University of Western Sydney, Sydney, NSW, Australia

Paper No. IMECE2008-66752, pp. 835-841; 7 pages
  • ASME 2008 International Mechanical Engineering Congress and Exposition
  • Volume 10: Heat Transfer, Fluid Flows, and Thermal Systems, Parts A, B, and C
  • Boston, Massachusetts, USA, October 31–November 6, 2008
  • Conference Sponsors: ASME
  • ISBN: 978-0-7918-4871-5 | eISBN: 978-0-7918-3840-2
  • Copyright © 2008 by ASME


A major challenge facing tumour treatment procedures, including hyperthermia, is the inadequate modelling of the bio-heat transfer process. Therefore, an accurate mathematical bio-heat transfer model has to precisely quantify the temperature distribution within a complex geometry of a tumour tissue, in order to help optimize unwanted side effects for patients and minimize (avoid) collateral tissue damage. This study examines the three-dimensional molecular dynamics (MDs) simulation of a Lennard-Jones fluid in the hope of contributing to the understanding of the propagation of a thermal wave in fluids causing phase change i.e. irreversible gelation. It is intended to establish, from such information, a useful benchmark for application to large scale phenomena involving macro scale heat transfer. Specifically, this study examines assemblies of N particles (N = 500 atoms) and analyses the microscopic simulation of double well interaction with permanent molecular bond formation at various temperatures within the range 1–2.5Kb /εT. The dynamics of the fluid is also being studied under the influence of a temperature gradient, dt/dx, where neighbouring particles (i.e. atoms/molecules) are randomly linked by permanent bonds to form clusters of different sizes. The atomic/molecular model consist of an isothermal source and sink whose particles are linked by springs to lattice sites to avoid melting, and a bulk of 500 atoms/molecules in the middle representing the Lennard-Jones fluid. Then, this study simulates the energy propagation following the temperature gradient between the heat source and heat sink at T1 = 2.5 and T2 = 1.5 respectively. The potential equation involved in this study is given by the Finitely Extensible Non Elastic (FENE) and Lennard-Jones (LJ) interaction potential. It is observed that the atoms of the bulk start to form a large cluster (∼ 300 atoms) with long time of simulation estimated by 106 time steps where τ = SQRT(ε/mσ2 ) and Δt = 10−3 . It is also obtained that the potential energy of 13.65Kb T across a barrier to establish permanent bonds giving rise to irreversible gel formation. All the parameters used in this study are expressed in Lennard-Jones units.

Copyright © 2008 by ASME
Topics: Fluids



Interactive Graphics


Country-Specific Mortality and Growth Failure in Infancy and Yound Children and Association With Material Stature

Use interactive graphics and maps to view and sort country-specific infant and early dhildhood mortality and growth failure data and their association with maternal

Citing articles are presented as examples only. In non-demo SCM6 implementation, integration with CrossRef’s "Cited By" API will populate this tab (http://www.crossref.org/citedby.html).

Some tools below are only available to our subscribers or users with an online account.

Related Content

Customize your page view by dragging and repositioning the boxes below.

Related eBook Content
Topic Collections

Sorry! You do not have access to this content. For assistance or to subscribe, please contact us:

  • TELEPHONE: 1-800-843-2763 (Toll-free in the USA)
  • EMAIL: asmedigitalcollection@asme.org
Sign In