The research activities focus in developing physical models and robust simulation techniques to study: 1) mechanical properties of metallic systems; 2) charge and spin transport in various low-dimensional electron systems; and 3) spin transport in magnetic tunneling junctions. Key features of the modeling efforts include studies of the effects: of chemistry on mechanical properties in metals and intermetallics which are potential candidates for structural applications at elevated temperatures; of spin-orbit coupling and disorder on the charge and spin transport properties of two-dimensional strongly correlated electron systems pertinent to spintronic devices, and; of disorder and quantum-well states on the spin torque in single and double magnetic tunnel barriers relevant to spintronic applications. The common theme of these developments involves linking multiple scales (spatial and temporal) and physics that have been traditionally studied in separated disciplines.

The PREM program promotes accessibility of frontier research/education experience in multidisciplinary computational materials science to students from underrepresented groups. We have been developing a sequence of courses for seniors and graduate students that cover materials simulation methods and underlying physics ranging from quantum many-body techniques, ab initio electronic structure, molecular dynamics, kinetic Monte Carlo simulations, and to continuum finite element materials modeling. Through their involvement in cutting-edge research activities, students are exposed to many materials-related physics and computational techniques, and gain skills in scientific programming on parallel computers, numerical analysis and graphic visualizations.

Undergraduates are participating in the REU summer program hosted by PCCM, and are supervised by the Princeton faculty members and/or their Ph. D students to carry out joint research projects. The CMTC has started a Distinguished Lecture Series in which faculty members from Princeton and from other Universities/National Laboratories give public lectures on their cutting-edge research in materials science and engineering. The lecture series, disseminated via web-broadcasting and video streaming, has provided rare opportunities to the faculty and students at CSUN to learn the frontiers of materials research and share the excitement of modern materials research. The establishment of the PREM has significantly advanced the quality of research and education at CSUN to achieve national competitiveness and to promote accessibility of underrepresented students to frontier materials research. The PREM has allowed the access and harness of the intellectual power existing in the two participating institutions. The synergistic collaborations will allow the development of a number of powerful and unique computational approaches/codes that can address the grand challenge problems in materials science and engineering.

The research projects have direct applications to nanotechnology. The computational efforts may guide the development of novel materials and devices for aerospace engineering, spintronics and nano-applications. The PREM has allowed us: 1) to expand and strengthen the existing curriculum in materials science at CSUN ; 2) to incorporate an outreach education program for high school students and teachers in materials research; 3) to develop novel techniques for multiscale and multiphysics modeling to study more complex physical phenomena; and 4) to elevate and advance our research and education scopes to a new height. The CMTC has hosted a High School Teacher Materials Camp to make high school teachers aware of the role that computational materials science plays in our daily life and in the development of novel materials. Participants have been provided with instructional materials, which can be disseminated in their classrooms. The CMTC is currently organizing summer workshops to provide participants with hands-on experience in computational materials research, with the emphasis placed on underrepresented undergraduate and graduate students. The CMTC has also established a consortium of industry/national laboratories partners to sponsor students.

The CMTC fosters multidisciplinary education and research in cutting-edge computational materials science and enhances recruitment, retention, and degree attainment of minority students.

Selected Publications
1. X. Zhang and G. Lu, Quantum mechanics/molecular mechanics methodology for metals based on orbital-free density functional theory, Phys. Rev. B 76, 245111 (2007).
2. Z. Chen, G. Lu, N. Kioussis, and N. Ghoniem, Effect of local environment on the mobility of dislocations in refractory bcc metals: Concurrent multiscale approach, Phys. Rev. B 78, 134102 (2008).
3. X. Zhang, C.Y. Wang and G. Lu, Electronic structure analysis of self-consistent embedding theory for quantum/molecular mechanics simulations, Phys. Rev. B 78, 235119 (2008).
4. G. Wu, G. Lu, C.J. Garcia-Cervera, and W. E, Density-gradient-corrected embedded atom method, Phys. Rev. B 79, 035124 (2009).
5. I. Theodonis, A. Kalitsov and N. Kioussis, Spin transfer Torque in Double barrier Magnetic Tunnel Junctions, J. Magn. Magn. Mater. 310, 2043 (2007).
6. Ioannis Theodonis, Alan Kalitsov, and Nicholas Kioussis, Enhancing spin-transfer torque through the proximity of quantum well states, Phys. Rev. B 76, 224406 (2007).
7. L Sheng, D. N. Sheng, and F.D. M. Haldane, and L. Balents, Odd Integer Quantum Hall Effect (IQHE) for graphene: Interaction and Disorder Effect, Phys. Rev. Lett 99, 196802 (2007).
8. H. C. Jiang, Z. Y. Weng, and D. N. Sheng, DMRG Numerical Study of the Kagome Antiferromagnet, Phys. Rev. Lett 101, 117203 (2008).
9. Hao Wang, D. N. Sheng, L. Sheng, and F.D. M. Haldane, Broken-Symmetry States of Dirac Fermions in Graphene with A Partially Filled High Landau Level, Phys. Rev. Lett 100, 116802 (2008).

PROGRAM

7:30-8:00 Registration, Handout Materials, Light Refreshments
GALLERY II BALLROOM
8:00-8:15 Welcome Message
Dr. Zakya H. Kafafi, Division of Materials Research (DMR) Director
8:15-8:40 NSF PREM Program Directors Presentation
Sean L. Jones and Tom Rieker Download this presentation (.pdf)
8:40-8:45 NSF Office of Legislative & Public Affairs (OD/OLPA)
Bobbie Mixon, OD/OLPA Download this presentation (.pdf)
8:45-9:00 Conference Organizers Presentation
Idalia Ramos, Nick Kioussis, Mikhail Noginov, and Tatiana Timofeeva
9:00-10:00 PREM Programs Presentations with Questions and Answers

• 9:00 Maximizing your Partnership and Building a Pipeline
  Idalia Ramos, University of Puerto Rico at Humacao Download this presentation (.pdf)
• 9:15 How to build upon the PREM Award at your institution
  Nicholas Kioussis, California State University at Northridge Download this presentation (.pdf)
• 9:30 City College of New York-University of Chicago PREM
  Jeffrey Morris, City College of New York    Download this presentation (.pdf)
• 9:40 Clark Atlanta University-Georgia Institute of Technology PREM
  Larry Xiao-Qian Wang, Clark Atlanta University Download this presentation (.pdf)
• 9:50 New Mexico Highlands University-University of Chicago PREM
  Tatiana Timofeeva, New Mexico Highlands University Download this presentation (.pdf)

10:00-10:15 Break

10:15-11:20 PREM Programs Presentations with Questions and Answers

• 10:15 How to Build upon the PREM Award at your Institution
  Joshua Halpern, Howard University Download this presentation (.pdf)
• 10:30 Building your Research Program through other Funding
  Paresh Ray, Jackson State University Download this presentation (.pdf)
• 10:45 The integration of Research and Education: Getting Students excited about Materials Science
  Gabriel López, University of New México Download this presentation (.pdf)
• 11:00 University of Puerto Rico at Mayaguez-University of Wisconsin PREM
  Nelson Cardona, University of Puerto Rico at Mayaguez Download this presentation (.pdf)
• 11:10 University of Texas at San Antonio- Northwestern University PREM
  Dhiraj Sardar, University of Texas at San Antonio Download this presentation (.pdf)

11:20-11:30 Break

11:30-12:15 PREM Programs Presentations with Questions and Answers

• 11:30 Building your Research Program through other Funding
  Mikhail Noginov, Norfolk State University  Download this presentation (.pdf)
• 11:45 Working with Administration on Building and Sustaining a Culture of Research
  Shaik Jeelani, Tuskegee University Download this presentation (.pdf)
• 12:00 University of Texas Panamerican-University of Minnesota PREM
  Karen Lozano, Univesity of Texas-Pan AmericanDownload this presentation (.pdf)
• 12:10 Xavier University-New York University PREM
  Lamartine Meda, Xavier UniversityDownload this presentation (.pdf)

12:20-1:30 Lunch

1:30-2:30 Working Groups Discussions:
Are we making a difference? How? How can we have greater impact?

• Group A: Building the Pipeline- da Vinci Meeting Room
  Moderator: Nicholas Kioussis
• Group B: Partnerships – Picasso Meeting Room
  Moderator: Mikhail Noginov
• Group C: Integration of Education and Research – Matisse Meeting Room
  Moderator: Tatiana Timofeeva

2:30-3:15 Working Groups Reports

3:15-3:30 Break

3:30-4:30 NSF Programs and Funding Opportunities

• DMR: IIA Programs and MRSECs Overview
  Charles Ying, Division of Materials Research (MPS/DMR) Download this presentation (.pdf)
• Research Experience for Undergraduates/Teachers (REU/RET)
  Dan Finotello, Division of Materials Research (MPS/DMR) Download this presentation (.pdf)
• Graduate Research Fellowship Program (GRFP)
  Carmen Sidbury, Division of Graduate Education (EHR/DGE) Download this presentation (.pdf)
• Research Initiative Grants to Broaden Participation in Biology (RIG)
  Sally O’Connor, Division of Biological Infrastructure (BIO/DBI) Download this presentation (.pdf)
• Major Research Instrumentation (MRI)
  Randy Phelps, Office of Integrated Activities (OD/OIA) Download this presentation (.pdf)
• Chemistry Research Instrumentation and Facilities (CRIF)
  Charles Pibel, Division of Chemistry (MPS/CHE) Download this presentation (.pdf)
• American Competitiveness in Chemistry-Postdoctoral Fellowship (ACC)
  Charles Pibel, Division of Chemistry (MPS/CHE)
• Centers for Chemical Innovation (CCI)
  Charles Pibel, Division of Chemistry (MPS/CHE)
• Engineering Research Centers (ERC)
  Lynn Preston, Division of Engineering Education & Centers (ENG/EEC) Download this presentation (.pdf)

4:30 Closing Remarks
4:30-5:30 Writing Minutes/Report

Six plenary talks will be offered by the invited speakers:  Peter Collings (Swarthmore), Monica Olvera de la Cruz (Northwestern), David Pine (New York University), Paul Janmey (PENN), Daeyeon Lee (PENN), and Arjun Yodh (PENN).  The symposium will also include a poster session by PREM students and other scientists from Puerto Rico. The first PREM symposium was organized in 2007 on the topic of Advanced Materials. Since them, approximately 85 researchers and students have met at Humacao every year to participate in the event.  More information can be found at: http://prem.uprh.edu/symposium.

Acknowledgements: We thank NSF-PREM grant # DMR-0611539 for their generous funding.

Download

Department of Chemistry, Jackson State University, Jackson, MS, USA

Acknowledgements: Dr. Ray thanks NSF-PREM grant # DMR-0611539 and NIH-SCORE grant # S06GM 008047 and DOD grant # W 912HZ-06-C-0057 for their generous funding

We have demonstrated that real time evolution of intermediates of colloidal nanocrystals can be fully accessed during the synthesis of anisotropic shaped gold nanoparticles.  Our experimental data provide unique and convincing information for understanding the growth mechanisms of how the shape control works for gold anisotropic nanocrystals

(Published in Chem. Phys. Lett., 2010, 487, 88-91 )

Download

Jhansi Rani Kalluri, Tahir Arbneshi, Sadia Afrin Khan, Adria Neely, Perry Candice, Birsen Varisli, Marla Washington, Shardae McAfee, Britinia Robinson, Santanu Banerjee, Anant Kumar Singh, Dulal Senapati, and Paresh Chandra Ray
Department of Chemistry, Jackson State University, Jackson, MS, USA

The contamination of drinking water with arsenic poses a threat to global health. As many as 140 million people worldwide may have been exposed to drinking water with arsenic contamination levels higher than the World Health Organization (WHO) guideline of 10 ppb. Driven by need, we have demonstrated a label-free, selective colorimetric assay and highly sensitive DLS assay for 3 ppt arsenic recognition in aqueous solution. The experimental results show that arsenic can be detected at the ppt level quickly and accurately without any tagging, and with excellent discrimination against other heavy metals.

(Published in Angewandte Chemie International Edition 2009, 48, 9668-9671)
Acknowledgements: Dr. Ray thanks NSF-PREM (grant no. DMR-0611539), CREST (grant no. HRD-0833178), HBCU-UP (grant no. 0811638), and DOD HPCDNM (grant no. W912HZ-07-C-0073) for their generous support of this research

Download this Highlight

NSF announces eight Partnerships for Research and Education in Materials awards on materials for renewable energy, materials for advanced electronics, biomaterials, organic and polymeric materials.

August 31, 2009
The National Science Foundation (NSF) announces eight Partnerships for Research and Education in Materials (PREMs) awarded as a result of the 2009 PREM competition.

The objective of the PREM program is to broaden participation of under-represented groups and enhance diversity in materials research and education. The objective is achieved by encouraging formal, long-term, multi-investigator, collaborative research and education partnerships between women- and minority-serving colleges and universities, colleges and universities dedicated to educating a majority of students with disabilities, and NSF Division of Materials Research (DMR)-supported centers and facilities. This is the third PREM competition since the program was launched in 2004.

The eight PREMs and their partners are listed below in alphabetical order by institution:

The new partnerships will impact a wide range of materials research and education, including nanomaterials and nanotechnology, biomaterials and biotechnology, electronics, spintronics, soft materials, polymers and materials for renewable energy.

Each PREM has made a substantial commitment to effectively integrating its educational and outreach activities with its scientific research program towards the PREM goal of broadening participation for under-represented groups in materials research and education, and enhancing diversity at all academic levels.  The educational outreach activities cover the entire range from elementary school to the postgraduate level.

Each award is for five years.  These awards, including the 6 PREMs awarded in 2006, bring the total to 14 PREMs with annual NSF support of $7.81 million.

Three of the awards were made with American Recovery and Reinvestment Act (ARRA) funds that DMR received in FY 2009.

“I am delighted with the results of the PREM competition and, the diversity in the materials science and education that it will offer to our future workforce,” said Zakya H. Kafafi, the Division Director for DMR.  “Thanks to the generous support of science by the new administration, DMR was able to expand this program considerably in its ongoing effort to broaden participation of under-represented groups in materials science and education, and bring true diversity in our academic institutions.”

For more information see: http://www.nsf.gov/funding/pgm_summ.jsp?pims_id=5439&org=DMR

-NSF-

Daniel Paez, “Nanofabrication of Metal-Polymer Composites for Surface-Enhanced Raman Spectroscopy Based Biosensing” in the Electronic, Magnetic, and Photonic Materials Division.	Ninoshka Cantres, “New Application of Recycled Metallic Matrix Composites” in the Light Metals Division.
Nayomi Plaza, “Effects of Magnesium Levels in Aluminum Matrix Compositesc Subject to Mechanical Wear and Abrasion” in the Structural Materials Division.	Alexandra Cintrón-Aponte, “On the Statistical Analysis of the Effect of Chemical Composition in Al-V and Al-Zr Composites Under Directional Solidification” in the Extraction and Processing Division.

Daniel Páez is a UPRM Mechanical Engineering MS student working under the guidance of Prof. Rubén Díaz; his work is supported by the Puerto Rico Institute of Functional Nanomaterials. Ninoshka Cantres (UPRM Chemical Engineering undergraduate), Nayomi Plaza (UPRM Mechanical undergraduate), and Alexandra Cintrón and Víctor Martínez (both UPRM Industrial Engineering undergraduates) have been directly supported by PREM. Nayomi Plaza and Víctor Martínez are also recipients of the Puerto Rico Louis Stokes Alliance for Minority Participation. This is the second year in a row in which Alexandra won the First Prize in the EPD division of this competition. Other PREM students co-authoring the winning posters were: Ruth G. I. Hidalgo (2006 TMS LMD Scholar and Bridge-to-Doctorate fellowship holder), José Vázquez and Carlos Báez (both 2007 TMS Poster Contest winners). Of all the 12 awards available, UPRM students received 4, i.e. 33%. In 2007, PREM students won two, while in 2008 UPRM PREM students received three.

The UPRM team waggle the four ribbons in celebration and are joined by Dr. Robert Shull and his wife. Dr. Shull (NIST Magnetic Materials Group Leader) was the 2007 TMS President and served in the TMS Board of Directors.

The large UPRM delegation shown below was joined by Andrew Fairbrother (third from left in the back row), from New Mexico Tech, and 2008 UPRM REU participant and Z. Humberto Melgarejo, UW PREM doctoral student (far right). The travel of the group was made possible not only by UPRM PREM support but also by grants and donations from TMS, the PR LSAMP, the PRSGC, BP, Raytheon, and the NASA/MUST program. Important travel funds were provided by UPRM Dean of Engineering, Dr. Ramón E. Vásquez Espinoza, a prime supporter of PREM and the Chapter.

These achievements crown a fruitful 2008-2009 Academic Year for the Mayagüez Material Advantage Chapter. Founded in 2004 under the auspice of UPRM PREM the group received the 2008 Chapter of Excellence by the national organization. The award was officially conferred during the Materials Science & Technology meeting held in October in Pittsburgh.

After returning to campus, the successful delegation presented the ribbons to UPRM Engineering Dean Dr. Ramón Vásquez (left), Daniel Páez, Ruth Hidalgo, Nayomi Plaza (Chapter President), Alexandra Cintrón, Ninoshka Cantres, José Vázquez, Víctor Martínez, and Prof. O. Marcelo Suárez (Chapter Faculty Mentor).

The Chapter outstanding performance was praised by the 2008 TMS President Dr. Diran Apelian (on the left photograph). He visited the Mayagüez campus in early February 2009 to meet with the Material Advantage students and UPRM faculty. Other individual achievements of Material Advantage/PREM students were:

1. Nayomi Plaza, who joined PREM as a junior high school student and became 2007 Puerto Rico Math Honorific Mention top high school graduate, received the Robert C. Byrd scholarship, the Lockheed Martin HENAAC scholarship, the NASA/MUST scholarship and a Boeing scholarship.

2. Maxuel Cruz, a Puerto Rico Space Grant Consortium undergraduate fellow, received the Northrop Grumman HENAAC scholarship.
3. Ronald Carrasquillo, former UPRM PREM and now UPRM CREST undergraduate Chemical Engineering student, received one of the three Engineering awards in the 2008 Sigma Xi poster competition.

For this research project, Ronald Carrasquillo (in the photograph below with the winning poster) and his mentor, Dr. O. Marcelo Suárez (UPRM PREM PI), had received a competitive Grants-in-Aid of Research award from the Sigma Xi Honor Research Society in May 2008.

In this project, Al-Sn-based composites reinforced with AlB₂ dispersoids are proposed as substitutes for commonly used Al-Sn-Si bearing alloys because of the superior wear strength observed in the new composite. The study is expected to be submitted for publication in March 2009.

Yarymar Martínez (left), Ronald Carrasquillo (center) and Roberto Rivera (right) working in the UPRM characterization laboratory where most of this work was carried out.

Ronald joined PREM in 2007, while Yarymar participated as volunteer during the Fall 2008 semester in Dr. Suárez’s research group. Roberto is supported with a scholarship from the Puerto Rico Louis Stokes Alliance for Minority Program to work under the guidance of Dr. Suárez.