NDLI: Computation of shear viscosity: a systems approach

Content Provider	IEEE Xplore Digital Library
Author	Hurst, J.L. Wen, J.T.
Copyright Year	2005
Description	Author affiliation: Dept. of Mech., Aerosp., & Nucl. Eng., Rensselaer Polytech. Inst., Troy, NY, USA (Hurst, J.L.; Wen, J.T.)
Abstract	Macroscopic material transport properties such as viscosity, diffusivity, conductivity, etc., may be computed by using molecular level simulation such as molecular dynamics or Monte Carlo methods. This computation is time consuming since simulations over sufficiently long times are needed to ensure that the assumed statistical properties are satisfied. As a result, such tools are useful in gaining insight and understanding of the underlying mechanisms behind observed physical phenomena, but are not amenable to material property design or material process control. In this paper, we focus on the computation of shear viscosity of a fluid-like material. We take a systems approach by regarding viscosity as a scalar input/output map from shear stress to shear strain rate. Linearizing this map about an equilibrated trajectory results in a linear time varying system. By freezing the time along the equilibrated trajectory, we obtain a set of linear time invariant systems. These systems are usually unstable, but may be transformed to stable systems by weighing all signals with sufficiently fast decaying exponential functions. Viscosity is then estimated directly from the frequency responses of these systems. Model reduction such as approximate balanced truncation may be applied to further reduce model complexity and computation load. This approach has a potential computation advantage since extensive simulation runs using high order molecular dynamics model are not required. Our long term objective is to develop efficient computation methods to facilitate rapid material and process design iterations. To illustrate the approach described in this paper and compare it with the traditional molecular dynamics methods, we have included the simulation results involving a simple Leonard-Jones fluid.
Sponsorship	American Automatic Control Council
Starting Page	2028
Ending Page	2033
File Size	514378
Page Count	6
File Format	PDF
ISBN	0780390989
ISSN	07431619
e-ISBN	0780390997
DOI	10.1109/ACC.2005.1470268
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2005-06-08
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	American Automatic Control Council(AACC)
Subject Keyword	Viscosity Computational modeling Process design Frequency estimation Fluid dynamics Conducting materials Conductivity Material properties Process control Stress
Content Type	Text
Resource Type	Article
Subject	Electrical and Electronic Engineering

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4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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