Simon Brandon, Department of Chemical Engineering, Technion-Israel Institute of Technology, Haifa, Israel
Valmor de Almeida, Research Associate
Russell Hooper, Graduate Student Researcher
Yong-Il Kwon, Graduate Student Researcher
Arun Pandy, Graduate Student Researcher
Nikhilesh Ponde, Graduate Student Researcher
Juan Carlos Rojo, Departamento Fisica de Materiales, Universidad Autonoma de Madrid, Madrid, Spain
Jacob W. Smith, Graduate Student Researcher
Paul Sonda, Graduate Student Researcher
Bhushan J. Vartak, Graduate Student Researcher
Andrew Yeckel, Research Associate
Hua Zhou, Research Associate
This research is using large-scale numerical simulation to better understand the processing of advanced materials. These processes involve the interaction between continuum transport phenomena and the development of a solid-state material characterized by features that are both macroscopic (e.g., spatial compositional variations) and microscopic features (e.g., spatial variation of dislocation densities). To study phenomena that characterize these processes, these researchers solve free- and moving-boundary problems involving incompressible fluid dynamics, heat and mass transfer, chemical reaction, and interfacial physics via the finite element method. To study microscopic phenomena, they employ atomistic methods, which are based on ab initio simulations. There are several objectives and studies currently in progress.
The first part of this work is focused on developing algorithms needed to model materials processing systems. Past work has concentrated on the development of finite element methods for solution of these problems. Current work is focusing on massively parallel implementations, the development of moving boundary techniques for three-dimensional problems, better preconditioners to be used with iterative linear solution methods, and implementation of advanced formulations for strongly nonlinear flows and transport.
99/5 |
"Preferred Method for Setting a Pressure Level in Computations of 3-D Flows of Incompressible Fluids with GFEM," V.F. de Almeida and J.J. Derby, University of Minnesota Supercomputing Institute Research Report UMSI 99/5, January 1999. Submitted for publication. |
99/72 |
"A Finite Element Analysis of Intermediate-Stage and Late-Stage Sintering of Polymeric Particles," R. Hooper, C.W. Macosko, and J.J. Derby, University of Minnesota Supercomputing Institute Research Report UMSI 99/72, April 1999. |
99/91 |
"Modeling Segregation and Convection during the Growth of Ternary Alloys under Terrestrial and Microgravity Conditions," J.J. Derby, N. Ponde, V.F. de Almeida, and A. Yeckel, University of Minnesota Supercomputing Institute Research Report UMSI 99/91, May 1999. Submitted for publication. |
99/93 |
"Effect of Accelerated Crucible Rotation on Melt Composition in High-Pressure Vertical Bridgman Growth of Cadmium Zinc Telluride," A. Yeckel and J.J. Derby, University of Minnesota Supercomputing Institute Research Report UMSI 99/93, May 1999. Submitted for publication. |
99/101 |
"An Analysis of Flow and Mass Transfer During the Solution Growth of Potassium Titanyl Phosphate," B. Vartak, Y.-I. Kwon, A. Yeckel, and J.J. Derby, University of Minnesota Supercomputing Institute Research Report UMSI 99/101, June 1999. Submitted for publication. |
99/119 |
"First Principles Calculations of Liquid CdTe at Temperatures Above and Below the Melting Point," V. Godlevsky, M. Jain, J.J. Derby, and J.R. Chelikowsky, University of Minnesota Supercomputing Institute Research Report UMSI 99/119, July 1999. Publication in press. |
99/145 |
"Computational Simulations of the Growth of Crystals from Liquids," A. Yeckel and J.J. Derby, University of Minnesota Supercomputing Institute Research Report UMSI 99/145, August 1999. Submitted for publication. |
99/155 |
"Theoretical Analysis of 3D, Transient Convection and Segregation in Microgravity Bridgman Crystal Growth," A. Yeckel, V.F. de Almeida, and J.J. Derby, University of Minnesota Supercomputing Institute Research Report UMSI 99/155, September 1999. Submitted for publication. |
Another focus is on the study of crystal growth systems. Continuing effort has been directed at understanding several systems of interest in this project. Current work is focusing on the Czochralski growth of oxide crystals, such as yttrium aluminum garnet (a laser host material) and lithium niobate (an acousto-optical material), the Bridgman growth of cadmium zinc telluride (an infrared detector material), and the solution growth of potassium tytanyl phosphate (a nonlinear optical material). A project being performed in collaboration with Professor James Chelikowsky of the Chemical Engineering and Materials Science Department at the University of Minnesota focuses on the description of molten and solid cadmium telluride using atomistic methods to better understand its peculiar properties during crystal growth. A new project with Professor Prodromos Daoutidis of the Chemical Engineering and Materials Science Department at the University of Minnesota is developing control algorithms based on high-fidelity, finite element simulations of Bridgman crystal growth.
Antoher project involves the study of sintering phenomena. These researchers have successfully modeled the viscous sintering of simple configurations of particles. Work is ongoing to model the sintering of polymeric materials, vacancy diffusion phenomena that dominate the sintering behavior of crystalline materials, and to extend analyses to more complicated, three-dimensional particle arrangements.
Further work is developing methods to describe the microwave heating. These researchers are collaborating with Professor H. Ted Davis of the Chemical Engineering and Materials Science Department at the University of Minneosta to develop finite element techniques to study the microwave heating of solids and liquids in various materials processing systems. Initial emphasis is being placed on food processing.
The final focus of this project involves the study of polymer fluid dynamics in processing. In conjunction with Professor Christopher W. Macosko of the Chemical Engineering and Materials Science Department at the University of Minnesota, these researchers are developing and applying finite element methods with differential constitutive equations for viscoelastic fluids to study various flows in polymer processing. Of particular interest are polymer drop deformation and break-up in extensional and shear flows.
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