Partnerships for Research and Education in Materials

PREM: City College-Chicago MRSEC Partnership on the Dynamics of Heterogeneous and Particulate Materials

 

 

 

 

A Partnership in Research and Education in Materials (PREM) has been established between the City College of New York (CCNY) with PI Prof. Jeff Morris (Chemical Engineering) and the University of Chicago MRSEC, where the co-PI is Prof. Sidney Nagel (Physics).  The program is interdisciplinary, with PI Morris and co-PI Prof. Mark Shattuck (Physics) joined by Profs. Joel Koplik (Physics), Ilona Kretzschmar and Raymond Tu (Ch. E.), Charles Watkins and Taehun Lee (Mechanical Engineering).

 

Goals

Our goals are: 1. to provide the highest quality research and education opportunities in material dynamics and 2. to use CCNY’s diverse and high-quality student body and research university status to increase participation of under-represented groups in materials science. We study material dynamics, with potential for major impact in many fields.

Developing Methodology for Description of Material Dynamics

The focal topic of the research effort is the dynamics of material synthesis, an area that is both a crucial and poorly understood aspect in materials science. The simulation and modeling of dispersed systems are CCNY strengths, which mesh well with the central Chicago MRSEC goal of deriving design principles for next-generation materials. A number of material formation processes, including assembly from finely divided particles due to deposition processes from drops, are far from equilibrium. Even when the ultimate assembled structure is an equilibrium structure, the demands of economics require rapid manufacturing of materials, and it is thus essential to promote the assembly through non-equilibrium forcing. Far from equilibrium conditions render modeling of material processing in heterogeneous systems difficult. In these cases, numerical simulation techniques based on understanding of dynamics of the discrete components of the mixture provide an avenue to understanding of the underlying physics. The controlling parameters can be identified, and the simulation results support development of highly desirable constitutive models and bulk modeling. The overarching goal of the research in the CCNY-Chicago PREM is thus to develop methodology for description of material dynamics, with potential for major impact across many fields.

Scope of Work

The scope of the activities spans a range of scales; from condensation at the molecular scale to continuum modeling of granular flows. The studies are linked through the pervasive observation that the development of emergent macroscopic behavior at larger scales is strongly influenced by discreteness and heterogeneities at the microscale. Simulation and analysis of the emergent behavior through tools of statistical physics, allow us to understand how macroscopic phenomena arise from discrete-particle dynamics. We choose to focus on material dynamics because this is both a crucial and poorly understood aspect in materials science. We describe a number of material formation processes including assembly from finely divided particles or biomolecules, or due to deposition processes from drops. We will examine self-assembly processes, droplet deposition by ink jet to print electronic materials and 3D structures, as well as more classical operations. The latter include processing of paste suspensions and granular media to make ceramics, propellants, batteries and other high-technology materials. Heterogeneous and dispersed particulate material dynamics are notoriously difficult to model, as the interactions between finely divided particulates affect macroscopic material properties, and the microscopic objects (particles) are less uniform than those in molecular systems. The particular mission of the CCNY team is to develop methods allowing simulation and modeling of the systems of interest. The work will use close interaction with experiment to develop and validate effective simulation tools, which probe phenomena in the flow and assembly processes encountered in making novel materials. Areas in which CCNY has leading expertise in simulation are molecular dynamics (Koplik), colloids and suspensions by Stokesian Dynamics and lattice-Boltzmann methods or LBM (Morris), multiphase and gas-liquid LBM (Lee ) and discrete-element method for granular systems (Shattuck); Morris and Shattuck also have established expertise in constitutive modeling and its application to bulk flow modeling of suspensions and granular media, with much of this work coupled to discrete simulations.  This array of problems divides naturally into thre research focus areas:  IRG 1 :  Vapor-liquid and Gas-liquid Systems (Investigators – J. Koplik, T.Lee, C Watkins;  Students – K. Connington, K. Gui, M. Miskin);  IRG 2:  Novel Assembly Processes (Investigators – I. Kretzschmar, R. Tu; Students- L. Leon, J. Lenis);  IRG 3: Particulate Systems (Investigators – J.  Koplik, J. Morris, M Shattuck; Students – S.S. Ashwin, A. Hubbard, E Nazockdast, P. Mirbod, K. St Clair).   

Synergy

 The CCNY-Chicago PREM combines strengths of CCNY in simulation and modeling with the Chicago expertise in experiments and theory to develop design principles for next-generation materials.  The research focuses on dynamics in heterogeneous and particulate systems. The team studies: 1) droplets during impact, 2) novel assembly techniques for micron sized particles and bio-molecules, and 3) dynamics of assembly for colloids and granular systems.

Training Scientists

The CCNY PREM vision is to provide highest quality research and education opportunities in materials science through a student-centered program.  The excitement of the discovery process is used to encourage participation, while extensive mentoring and education in the culture of the scientific enterprise is provided to maximize participants’ potential.  Students of all levels ranging from high school to post doctorate benefit from the 360° professional development initiatives designed and implemented by CCNY PREM faculty.  Experienced CCNY faculty design advanced course work and curricula, novel recruitment programs, leading edge research and mentoring programs all with the focus of providing students  well rounded experiences in academia and industry  so that they may move forward equipped with the intellectual and professional resources to advance to the next level in their careers.

 The PREM funding is currently supporting four doctoral students working on a range of problems.  Kai Gu is working with Profs. Watkins and Koplik on a hybrid simulation method for condensation processes at nanometer scale; Lorraine Leon is working with Prof. Tu on assembly of biomolecules at interfaces; Luz Amaya is working with Prof. Lee on lattice-Boltzmann simulation of bubble and drop formation in microchannel flows; Ehssan Nazockdast is working with PI Morris on theory and simulation of the microstructure in dense colloidal suspensions in shear flow. Two post-doctoral fellows have been brought on-board since the PREM commenced, Dr. Ashwin Selvaragan who did his PhD at the Indian Institute of Science (Bangalore) and Dr. Kevin Connington who received his PhD from Johns Hopkins University.   Ashwin is working primarily with Prof. Shattuck on jammed packing structures, while Kevin is working with Prof. Lee on a novel lattice-Boltzmann solver for three-phase systems (gas-liquid-solid).

Research Highlights:

Many of our projects are in their early stages, however, early findings have demonstrated significant contributions to our course of study.                                                                       

 

   

 

 

 

 

 

 

 

 

 

 

 

Upcoming Events:

In collaboration with an NSF-supported CREST program, a focal event in the CCNY PREM will be our Fall 2010 recruitment weekend scheduled to take place the weekend of October 15 – 17, 2010. We will bring a targeted group of undergraduate science and engineering students to New York to learn about CCNY materials science research and graduate studies in STEM disciplines.   We hope to have some of these students join the program, but our broader goal is to expand the pipeline and increase diversity in materials science.  The program will do this by making students aware of opportunities and encouraging them toward graduate study as an avenue to the most productive and interesting careers.  The conference is a 3 day series of scientific panel discussions, lectures from prominent scientist in the STEM fields, graduate study and careers education workshops,  application assistance,  and financial support information sessions.  Invitation of qualified undergraduate seniors and juniors is by nomination from faculty advisor.   Faculty advisers nominate students and are invited to attend the conference as well. Faculty take part in panel discussions with a diverse audience of graduate and undergraduate students from STEM fields. Excellent opportunity for networking and recruiting as many MRSECs, PREMs, and REUs will be in attendance.

  

 

Publications

Archival refereed publications

1.  Guo-Jie Gao, Jerzy Blawzdziewicz, Corey S. O’Hern, and M. D.  Shattuck, “Experimental demonstration of nonuniform frequency distributions of granular packings.”, Physical Review: E 80, 061304 (2009).

2. Lin Lu and Taehun Lee, “Wall free energy based polynomial boundary conditions for two-phase lattice Boltzmann equation.”, International Journal of Modern Physics, 20(11), 1749-1768 (2009). 

3. Kai Gu, Charles B. Watkins, and  Joel Koplik, “Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations.”, Journal of Computational Physics, 229(5),1381-1400 (2010).

4. Xi Wang, Wallace W. Carr, David Bucknall and Jeffrey F. Morris, “High Shear Rate Capillary Viscometer for Inkjet Inks”, Reviews of Scientific Instruments, 81 (6) DOI: 10.1063/1.3449478 (2010)

5. Jorge Peixinho. Prasad U. Karanjkar, Jae W. Lee, and Jeffrey F. Morris, “Rheology of Hydrate-forming Emulsions” Langmuir DOI: 10.1021/la101141j (2010).

Patent application

1.   A. Couzis, J. F. Morris and A. Shah “Method and Apparatus for Making Polymer Nanoparticles” Application number 61258083 (2009).

Presentations

 1.  S.S. Ashwin, M.D. Shattuck, and C.S. O’Hern, “The Statistical Mechanics of Small Packings.”, American Physical Society 2010 March Meeting, Portland, OR,  3/16/2010.

2.  J.F. Morris, “Particle-pressure induced phenomena in suspensions.”, Institute for Mathematics and Its Applications, Workshop on Complex Fluids, Minneapolis, MN, 10/2009.

3.  J.F. Morris, Keynote Address: ” Particle Migration in Suspensions: Toward Multiphase Fluid Mechanics”, International Congress of Multiphase Flow, Tampa, FL, 5/2010.

4.  P. M. Kulkarni, J.F. Morris, “Inertial rheology from simulation, and constitutive modeling.”, Society of Rheology, Madison, WI, 10/2009.

5.  P. M. Kulkarni, K. Humphry , H. A. Stone, J.F. Morris, “Inertial Migraton in Microfluidic Geometries.”, AICHE, Nashville, TN, 11/2009.

6.  P. M. Kulkarni, K. Humphry , H. A. Stone, J.F. Morris, “Inertial Migraton in Microfluidic Geometries.”, APS, Minneapolis, MN, 11/2009.

7.  P.M. Koch and M.D. Shattuck,”Experiments with 2D quasistatic and shaken arrays of permanent magnet N-mers (N > 1).”, American Physical Society 2010 March Meeting, Portland, OR, 3/16/2010.

8.  M.D. Shattuck, “Granular Equilibrium: Shaken, Not Stirred”, Brooklyn College of CUNY, New York, NY, 3/22/2010.

9.  M.D. Shattuck, “Granular Equilibrium: Shaken, Not Stirred”, Georgia Tech, Atlanta, GA, 9/9/2009.

10.  M.D. Shattuck, “Granular Equilibrium: Shaken, Not Stirred”, Rutgers University, Piscataway, NJ, 9/23/2009.

11.  M.D. Shattuck, “Experimental determination of frictional families in small 2D granular packings.”, American Physical Society 2010 March Meeting, Portland, OR, 3/16/2010.

12.  L. Amaya-Bower and T. Lee, “Dynamics of Droplet Formation in a Microfluidic T-junction”, International Conference on Multiphase Flow, Tampa, FL, 3/2010.

13.  L. Amaya-Bower, T. Lee, and J.F. Morris, “Boltzmann Simulations of Microfluidic Two-phase Flow, PREM Conference on Material Science, Jackson, MS, 4/2010.

14.  T. Lee, “Boltzmann Modeling of Multi-phase Interfacial Flows”, American Physical Society March Meeting, Portland, OR, 3/2010.

15.  L. Amaya-Bower and T. Lee, “Dynamics of Bubble Rising in Vertical and Inclined Square Channel”, American Physical Society Division of Fluid Dynamics, Minneapolis, MN, 11/2009.

16.  T. Lee, “Semi-implicit Unstructured Finite Element Lattice Boltzmann Equation Method for Incompressible Binary Fluids”, American Physical Society Division of Fluid Dynamics, Minneapolis, MN, Taehun Lee, 11/2009.

17.  L. Leon and R. Tu, “Controlling nucleation and growth with interfacial peptides”, 4th PREM conference on Materials Science , Jackson, MS, 4/21/2010.

18.  R. Tu, “Two-dimensionally confined periodic peptides controlling inorganic nucleation and growth”, Georgia Institute of Technology, Atlanta, GA, 4/21/2010.

19.  V. Jain, C. Maldarelli, and R. Tu, “Dynamic Peptide Folding and Assembly for DNA Separation”, Biophysical Society, Boston, MA, Raymond Tu, , Charles Maldarelli, Vikas Jain, Feb-10

20.  R. Tu, “Two-dimensionally confined periodic peptides controlling inorganic nucleation and growth”, Lehigh University, Lehigh, PA, 2/2010.

21.  V. Jain and R. Tu, “Dynamic Peptide Assemblies for Sensing Applications.”,  Bionanotechnology: Plenary Session I., AIChE, Nashville, TN, 11/2009.

22.  R. Tu, “Interfacial Peptide Assemblies for Use in Nanocrystal Synthesis.”, Biomolecules at interfaces session, AIChE, Nashville, TN, 11/2010.

 Http://prem.ccny.cuny.edu