A Data-Driven Multi-field Analysis of Nanocomposites for Hydrogen Storage

This paper focuses on computational parameter identification associated with heat and mass diffusion macro-behavioral models of hydrogen storage systems from a continuum multiphysics perspective. A single wall nanotube (SWNT) based composite pellet is considered as our representative finite continuum system. The corresponding partial differential equations (PDEs) governing the spatio-temporal distribution of temperature and hydrogen concentration are formulated. Analytical solutions of the system of coupled PDEs are constructed and utilized in the context of inverse analysis. The corresponding non-linear optimization problem is formulated in order to determine the unknown parameters of the model, based on an objective function and constraints consistent with experimentally acquired data along with the physical and utilization requirements of the problem. Behavioral simulation results are presented in an effort to demonstrate the applicability of the methodology. Finally, we indicate potential extensions of this methodology to multi-scale and manufacturing process optimization.

[1]  C. Truesdell,et al.  The Classical Field Theories , 1960 .

[2]  Todd A. Ehlers,et al.  REVIEWS IN MINERALOGY AND GEOCHEMISTRY , 2005 .

[3]  M. Ashraf Imam,et al.  Evaluation of hydrogen storage characteristics of magnesium–misch metal alloys , 2003 .

[4]  Charbel Farhat,et al.  On a data-driven environment for multiphysics applications , 2005, Future Gener. Comput. Syst..

[5]  Samuel G. Lambrakos,et al.  Purification and defect elimination of single-walled carbon nanotubes by the thermal reduction technique , 2005 .

[6]  John R. Rice,et al.  Design Architecture of a Data Driven Environment for Multiphysics Applications , 2003 .

[7]  Stephen Wolfram,et al.  The Mathematica Book , 1996 .

[8]  Katrin Hoffmann,et al.  Optically and Electronically Functional Materials , 2002 .

[9]  Stephen Gilmore,et al.  Evaluating the Performance of Skeleton-Based High Level Parallel Programs , 2004, International Conference on Computational Science.

[10]  P. M. Naghdi,et al.  A unified procedure for construction of theories of deformable media. I. Classical continuum physics , 1995, Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences.

[11]  G. G. Stokes.  "J." , 1890, The New Yale Book of Quotations.

[12]  S. G. Lambrakos,et al.  Analysis of processes involving heat deposition using constrained optimisation , 2002 .

[13]  John G. Michopoulos,et al.  Multi-Field Characterization of Single Wall Nano-Tube Composites for Hydrogen Storage , 2005 .

[14]  W. Jost,et al.  Handbuch der Physik. Herausgegeben von S. Flügge, Bd. IX. Strömungsmechanik III. Mitherausgeber C. Truesdell, 815 Seiten, 248 Figuren, Springer 1960. Preis: DM 158,40. , 1961 .

[15]  Ferdi Schüth,et al.  Handbook of porous solids , 2002 .

[16]  Everett A. Jenne,et al.  Adsorption of metals by geomedia : variables, mechanisms, and model applications , 1998 .

[17]  Charbel Farhat,et al.  DDEMA: A Data Driven Environment for Multiphysics Applications , 2003, International Conference on Computational Science.

[18]  Elias N. Houstis,et al.  Agent-Based Simulation of Data-Driven Fire Propagation Dynamics , 2004, International Conference on Computational Science.