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Project Description:

Penn-UPR Partnership for research and education in materials

We propose to establish a Partnership for Research & Education in Materials
(PREM) between the University of Puerto Rico (UPR) and University of
Pennsylvania (PENN) Materials Research Science & Engineering Center (MRSEC)
that will increase the participation of minorities in materials research
and related educational activities. The five years PREM will extend and
expand a successful collaborative that began in 1998 under the NSF CIRE
program. MRSEC researchers associated with the PREM come from three
institutions in Philadelphia: PENN, DREXEL University and the University of
the Sciences in Philadelphia.

1. LIST OF FACULTY PARTICIPANTS (The names of women faculty are
underlined).

1. Idalia Ramos, PI, Associate Professor, Physics and Electronics, UPR-
HUMACAO
2. Rogerio Furlan, Associate Professor, Physics and Electronics, UPR-
HUMACAO
3. Nicholas Pinto, Professor, Physics and Electronics, UPR-HUMACAO
4. Jose Sotero, Associate Professor, Mathematics, UPR-HUMACAO
5. Esther Vega, Associate Professor, Biology, UPR-HUMACAO
6. Maria del C. Cruz, Profesor, Education, UPR-HUMACAO
7. Mirna Ayala, Professor, Education, UPR-HUMACAO
8. Lesser Blum, Professor, Physics, UPR-RIO PIEDRAS
9. Ana Guadalupe, Professor, Chemistry, UPR-RIO PIEDRAS
10. Wilfredo Otaßo, Profesor, Mathematics and Physics, UPR-CAYEY
11. Michael L. Klein, FRS, Hepburn Professor, LRSM, PENN
12. Alan MacDiarmid, FRS, Blanchard Professor, Chemistry, PENN
13. Andrew McGhie, Associate Director, LRSM, PENN
14. Jorge J. Santiago-AvilÈs, Associate Professor, Electrical and Systems
Engineering, PENN
15. Andrew Rappe, Associate Professor, Chemistry, PENN
16. Alan T. Johnson, Associate Professor, Physics, PENN
17. Suresh Ananthasuresh, Associate Professor, Mechanical Engineering,
PENN
18. John DiNardo, Professor, Physics, DREXEL University
19. Preston Moore, Associate Professor, Chemistry, U. of the Sciences in
Philadelphia
20. Estela Blaisten, Professor, Computational Science, George Mason
University
21. Luz Martinez-Miranda, Associate Professor, Nuclear and Materials
Sciences, UMD
22. Raphael Tsu, Professor, Physics, North Carolina University
23. Luis Sola, Senior Research Scientist, Dupont Electronics Materials
24. Angel Garcia, Staff Scientist, Los Alamos National Laboratory
25. Tomas Diaz de la Rubia, Associate Director, Chemistry & Materials
Science, LLNL

2. MAIN ACCOMPLISHMENTS OF PREVIOUS NSF SUPPORTED COLLABORATIVE EFFORTS

In 1998 the UPR-HUMACAO was awarded a NSF-CIRE grant (DMR 9872689) to
implement a collaborative with PENN MRSEC. NSF funded the program from
1999 until 2002 (3 years and 1 year extension at no cost for NSF). After
the initial three years of NSF support, UPR has provided, as promised,
support for faculty release time, students stipends, travel, materials,
videoconferencing, and equipment maintenance. This support from UPR will
be held until 2004. Also, supplementary funds were awarded to the MRSEC
for UPR faculty and students to participate in research activities at PENN
during the Summer 2003. After 4 years, the main accomplishments of the UPR-
PENN CIRE are:

. New research collaborative projects started at UPR, which produced
contributions to 3 books, 32 papers in archival Journals (10 with
student co-authors and 6 with UPR-PENN co-authors); 51 papers in
Conference Proceedings (30 with student co-authors and 24 UPR-PENN co-
authors). See full list in Supplementary Documents.
. More than 300 minority students have benefited from undergraduate
research, summer visits to PENN, participation in conferences,
training for GRE and other educational activities, including
videoconferences.
. With the CIRE grant the number of students participating in summer
research activities increased from an average of 6 to an average of
19.
. The participation of women minority undergraduates increased through
the grant period. During the last two years (2001-2003) over 50% of
the students participating in research activities were women.
. From 1996 to 1999, 9 students were admitted to graduate programs in
Puerto Rico and the US. After the CIRE grant was awarded, from 1999
to 2003, 24 former CIRE students have been admitted to graduate
schools in the US and Puerto Rico.
. Twenty-one proposals have been submitted by UPR-CIRE faculty to NSF,
NIH, NASA, DOD, PRF-ACS, US Dept. of Education and other agencies for
research and education projects; thirteen of these were joint
proposals between UPR and PENN faculty and eleven have been funded.
. A proposal for an MS program in Physics of Materials was approved by
UPR-Humacao and is being considered for approval by UPR Central
Administration. This will be the first graduate program in UPR-
Humacao and the first Materials Program in Puerto Rico.
. A Videoconference Room was established and seminars are transmitted
from PENN to Humacao weekly. These included many in Spanish by Prof.
J. Santiago as well as by Carlos Lopes, Monica Piholtz and Leonore
Saiz - graduates students or post-docs in the PENN Center for
Molecular Modeling (CMM). The system is also used for group meetings
between collaborators and by other members of the UPR community.
. Approximately 57 faculty and students from UPR visited PENN during the
last four years for research and educational experiences, including
extended summer visits. Prof. N.J. Pinto spent a sabbatical year at
PENN with Prof. Alan MacDiarmid, Nobel Laureate in Chemistry, 2000.
An annual meeting was held at UPR-Humacao each fall semester. We had
33 PENN faculty visits and 6 PENN students (3 grads and 3 undergrads,
3 Hispanics) visits to UPR during the grant period.
. During this collaborative: Alan MacDiarmid (PENN) won the Nobel Prize
in Chemistry in 2000; Michael L. Klein (PENN) won the APS Raman Prize
in 1999, and Lesser Blum (UPR) won the ACS Hildebrand Award in 2003.
. Alan MacDiarmid's first public lecture after winning The Nobel Prize
in 2000 was to 400 high school students in UPR-HUMACAO.
. UPR has improved its research infrastructure with the acquisition of
new equipment: AFM/STM, SEM, Profilometer, High Voltage Sources,
Material Analyzers, Jet Vapor Etching System, furnace, computers and a
videoconference system. With matching funds from UPR the research
laboratories were remodeled.
. An Advisory Committee of well known/well-established faculty and
researchers from the Academic Community and Industry has contributed
to the evaluation and continuous assessment of the CIRE effort.

The PREM will expand the successful UPR-PENN collaborative experience, by
introducing new activities, and by incorporating new research and education
partners.




COMPLEMENTARY SUPPORT


Funds awarded to UPR faculty for activities related to the proposed
partnership:

. ADVANCE Institutional Transformation (NSF#0123654, PI: I. Ramos, UPR-
HUMACAO, 2001-2006): institutional effort to increase the
participation and advancement of women in the science faculty in UPR-
HUMACAO.
. ATE: Preparing Highly Competent Electronic Technicians in
Manufacturing, Communication and Information Technologies
(NSF#0101621, PI. H. Sosa, 2001-2004).
. REU: Research Experiences for Undergraduates in Chemistry at the UPR
(NSF# 0097768, PI. A. Guadalupe, UPR-R, 2001-2004).
. RUI: Electrostatic Generation and Characterization of Conducting
Polymer Nanofibers: Motivating Undergraduate Students towards Research
in Materials Science (NSF#0098603, PI: N. Pinto, 2001-2004).
. Polymer based Nanofibers for Nanoelectronic Field Effect Transistors
(NASA; NCC3-963, PI: N. Pinto, 2002).
. HBCU/MI: Complementary Equipment Purchase for Fabricating Miniaturized
Devices based on Conducting Polymers (DODF49620-02-1-0408, PI: N.
Pinto, 2002-2003).
. ACS-PRF: A Simple Technique to Prepare Ultrafine Fibers of Polyaniline
for the Purpose of Investigating the Nature of the Metallic State in
Conducting Polymers (38880-B7, PI: N. Pinto, 2003-2006).
. CSEMS: Humacao Research Scholarships: Increasing Student Achievement
in Computational Mathematics (NSF#0123169, PI: J. Sotero, UPR-HUMACAO,
2002-2005).
. Research Experiences as a Bridge to the Baccalaureate Degree
(NIH#3R25GM2027-01S1, PI: E. Vega, UPR-HUMACAO, 2000-2003).
. NSF-MRI: Acquisition of 300 MHz nuclear magnetic resonance
spectrometer to enhance research and education at UPR-HUMACAO, (CHE-
0116445, Co-PI: N. Pinto, 2001-2004).
. Fuel Cells (DOE, PI: L. Blum, UPR-RIO PIEDRAS, 2003-2006).


PROGRAM GOALS and mission of the partership


This Program has as main goals:

. To develop multidisciplinary, multi-institutional research and
education activities in Polymers, Sensors and Actuators Materials, and
Mathematical Modeling and Simulation in Materials Science
. To provide more research and educational opportunities in materials
sciences for minority and women minority undergraduate, graduate
students, and faculty

The mission of this PREM is to establish a long-term collaborative research
and education partnership between the University of Puerto Rico and the
University of Pennsylvania that will increase the participation of
minorities (men and women) in materials research and education. It will
increase the participation of the women faculty from UPR to 50%. The
proposed PREM will expand the existing collaborative by incorporating new
research and education partners. The PREM will reach a wider population by
incorporating an outreach education program for elementary, middle, and
high school students and teachers in materials sciences. It will also serve
to improve curricula with the integration of materials research topics to
existing undergraduate required courses and the implementation of new
graduate courses at three campuses of UPR: Humacao, RÌo Piedras and Cayey.


PROGRAM OBJECTIVES


. To integrate undergraduate and graduate students in materials research
activities and team-based projects pertinent to industrial
applications
. To implement the first graduate program in Physics of Materials in
Puerto Rico
. To modernize required courses introducing materials research
experiences
. To enhance and expand the exchange program for faculty and students
. To develop an outreach program in materials sciences for elementary,
middle and high school students and teachers
. To share experimental facilities with other researchers in PR and the
US
. To strengthen the infrastructure for research and education in
Materials Sciences at UPR
. To promote our program as a model of a successful collaborative


Role of the DMR - Supported Center


Over the last 10 years, the PENN (LRSM) - MRSEC has played a pivotal role
in enhancing diversity in materials research and education at the
University of Puerto Rico (UPR). The mutually beneficial collaborative
began initially by targeting UPR students for MRSEC sponsored summer
Research Experience for Undergraduates (REU) programs with PENN
faculty. So far, under this scheme, a total of 33 Hispanic students have
each spent 10 weeks at PENN. This successful program, which is continuing,
was expanded about 5 years ago to include UPR faculty. Specifically, the
PENN MRSEC partnered with UPR (Humacao) to launch an equally successful
Collaborative to Integrate Research and Education (CIRE). The CIRE (NSF
DMR-9872689) resulted in the extensive research and education interactions
listed above in Section 2.0.

Under the CIRE grant, the following UPR faculty from Physics: Ramos, Pinto,
Blum, Furlan, Otano, Guerra, Legault, Pantojas, Zypman; Chemistry:
Barletta, Ortiz Mathematics: Sotero have visited Penn (most on several
occasions) for collaborative projects with Penn MRSEC faculty from
Chemistry: Klein, MacDiarmid, Gai, Moore, Rappe; Physics: Johnson, DiNardo;
EE: Santiago; MSE: Bonnell, McMahon, Luzzi and McGhie (LRSM). Also, Pinto
spent a sabbatical year working with MacDiarmid, the 2000 Chemistry Nobel
Laureate. Typically, for each of the past 5 years, up to 6 faculty and 8
students from UPR have visited PENN for one month and 4 of the MRSEC
faculty have visited UPR for periods ranging from a few days to a week. The
collaborative has been enhanced via the use of a videoconference link,
which enabled scientific discussions and lectures.

Building on a decade of mutually beneficial and successful ongoing
collaborations, the PENN-MRSEC proposes a Partnership for Research and
Education in Materials (PREM) with the University of Puerto Rico to further
enhance diversity in materials research and education in the following
ways:

. First, the MRSEC is fully committed to the collaborative UPR - PENN
research projects, as described in Sections 7.1-3.
. In addition to sustaining existing and creating new on-going
collaborations throughout the year, the PREM will support summer
research work being carried out for a month or more each summer in the
laboratories of PENN MRSEC faculty members by both UPR faculty and
their students.
. Importantly, the PREM will enable access by the UPR participants to
all PENN research and education infrastructure including: Shared
Experimental Facilities, libraries, machine shops and instrumentation
facilities.
. UPR participants will be able to experience educational, human
resources development, and outreach programs of the MRSEC.
. During each semester, the MRSEC will provide weekly seminars and
lectures by PENN faculty, post-docs., graduate students, and staff
members to UPR undergraduates via our well-established videoconference
link. Contributions will be required of all PENN program participants.
. The MRSEC will provide at least one mini-course in materials per
semester, each consisting of ~5 lectures, to be given by PENN faculty
visiting UPR. This builds on the very successful multiple visits to
UPR, which have already been made by MacDiarmid, Johnson, Klein,
McGhie, Rappe, and Santiago-Aviles under the CIRE.
. MRSEC faculty will assist in curriculum development of new and
existing courses at UPR and the development of CD-ROM instruction
programs, as initiated by McMahon under the CIRE.
. The PREM will enable faculty and student exchange throughout the
school year as needed to facilitate the research program. PENN MRSEC
students and post-docs have already participated in such vitally
important exchanges under the CIRE.
. The PREM will be enhanced through frequent and new techniques for the
use of videoconference facilities. Under the Shared Experimental
Facilities, we will introduce a quasi-virtual utilization of Penn
research instrumentation by using teleconferencing as a real time
communication link. That is, the two researchers actuating the
experimental instrumentation will be in visual contact through
teleconferencing facilities jointly doing the experiment.
. MRSEC faculty will participate in an annual research meeting at UPR, a
highly successful event that was established during the CIRE program,
in which personal contact could be established between PENN faculty
and the broader UPR community.


RESEARCH PROGRAM



The research and education activities will be centered on three main
topics: Polymers, Sensors and Actuators Materials, and Mathematical
Modeling & Simulation in Materials Science. These are the three areas that
best exemplify the successful collaboration between UPR and PENN and the
ones that resulted in the highest total scientific production and
publications rates. Table 1 (p. 16) summarizes the main topics and
subtopics for the program, the research applications, and the proposed
education and outreach activities.

7.1 Polymers

Collaborators: Nicholas Pinto (UPR-HUMACAO), Rogerio Furlan (UPR), Idalia
Ramos (UPR), Jorge J. Santiago-AvilÈs (PENN), Alan MacDiarmid (PENN), Alan
T. Johnson (PENN).

. Conducting Polymers

In recent years, polymers, which were traditionally considered to be good
electrical insulators, can actually be made into good electrical
conductors. Such conducting polymers have found widespread use in today's
technological market in applications ranging from rust prevention of metals
to sophisticated electronic devices and sensors. The very first conducting
polymer, polyacetylene was discovered in 1977 [1], but since then there
have been many other different types. One of the most widely studied
conducting polymers is polyaniline. Polyaniline is unlike the other
conducting polymers such as polyacetylene, polypyrrole and polythiophene.
It is not charge-conjugation symmetric; that is, the valence and the
conduction bands are asymmetric as a result of the Fermi level and band gap
not being formed in the center of the band [2]. The carbon ring and
nitrogen atoms are within the conjugation path in polyaniline, forming a
generalized "A-B" polymer. Finally, the electronic state of the polymer can
be changed through variation of either the number of electrons or the
number of protons per repeat unit [3]. Further, the relative ease of
synthesis, high yield, and good stability in air, easy processibility and
moderately high conductivity make polyaniline an extremely desirable
material. The basic chain structure of polyaniline exists in three
insulator states: the fully reduced leucoemeraldine base polymer and the
two oxidation states of the basic chain, the fully oxidized pernigraniline
polymer and the intermediate oxidation level emeraldine base polymer.
Reduction of the pernigraniline base, oxidation of the leucoemeraldine base
and protonation of the emeraldine base all result in the formation of the
conducting emeraldine salt.

Although much work has been done on characterizing conducting polymers,
very little is known about their properties at reduced dimensions. In the
quest of finding applications for conducting polymers with faster response
times and reduced dimensions, we propose to study the properties of
conducting polymers by fabricating ultrafine fibers. The fibers will have
average diameters in the range 10nm - 100nm. At these reduced dimensions we
expect to observe phenomena not seen before in the bulk, which could lead
to a whole new approach to understanding conducting polymers. For example,
are the metallic islands that are formed during the synthesis of conducting
polymers really three-dimensional or one-dimensional? Can we even consider
the metallic islands formed to be conventional metals, i.e. does the
interior of the island exclude an electric field? We propose that answers
to such fundamental questions can be found in studying nanofibers.

In this project we propose to combine two techniques to prepare the
substrates and fabricate and test the conducting polymer devices. We will
use the Line Patterning technique [4] to deposit gold and other metals on
paper and the electrospinning technique to spin ultrafine fibers of
conducting polymers [5].

Line Patterning is a method that takes advantage of differing rates of
reaction of a material with the printed line on a substrate and the naked
substrate surface itself. The technique was originally created on the basis
of conductive polymer aqueous dispersions being more readily adherent to
hydrophilic surfaces, such as overhead transparencies rather than to
hydrophobic surfaces, such as a toner line printed on the transparency
using a standard laser printer. We propose to use the same Line Patterning
technique but, instead of a conducting polymer being deposited onto the
substrate, patterned using a laser or solid ink printer; we have used
metals, specifically nickel and gold.

Electrospinning, first patented in the 1930's, is an electrostatic self-
assembly (non-mechanical) method capable of fabricating a large variety of
meters-long, organic polymer fibers under ambient conditions. In the
electrospinning process an electric field is generated between the surface
of a viscous polymer fluid and an electrically conducting collection
screen. As the electrical potential is increased beyond a critical value
(typically 1 kV/cm) the charged polymer solution overcomes the surface
tension of the liquid and a fine jet is produced. The jet undergoes a
series of electrostatically driven bending instabilities, which allows it
to become very thin in a small, cone-shaped volume. The solvent evaporates
rapidly and the dry fibers are accumulated on the surface of the collection
screen, thus producing a mat of nanofibers [6]. For fabrication purposes,
single fibers may be easily deposited on different types of substrates such
as a silicon wafer or a copper wire loop simply by passing the substrate
through the base of the envelope cone. We propose to use the two
techniques mentioned above to electrospin polyaniline nanofibers on pre-
patterned substrates and to electrically characterize these fibers with the
purpose of fabricating field effect transistors. Since the techniques to be
employed are simple and inexpensive, this technology will provide for a
cost-effective method of producing inexpensive, throwaway electronic
devices [7].

. Polymer precursors to carbon fibers and Polymer/organic precursors to
piezo ceramics

Using the technique of electrostatic deposition of polymeric and /or high
molecular weight materials, we propose to explore the deposition of
graphite and graphitic carbon nanofibers. High carbon yield polymers such
as PAN (polyacrylonitrile) will be deposited using electrospinning and
processed at high temperatures utilizing rapid thermal processing on a UHV
enclosure [8]. Research on these graphitized carbon nanoscopic tubes is
ongoing in the Penn group that has been able to produce what seem to be low
resistivity / high strength fibers with nanoscopic diameters and
microscopic length. We are utilizing such tools as Raman microscopy, nano
indentation and scanning probes for the characterization of these
materials. We are exploring the onset of crystalline domain formation in
these nano-fibers (20-200nm) both experimentally and theoretically. The
thermal activation of a crystalline conductive path leading to measurable
conductivity has been obtained (at room temperature) and correlated with
the thermal activation of the graphitic mole fraction in the same system
utilizing Raman and IR spectroscopy. Electronic transport properties at
low temperatures (1.9 -15K) and high magnetic fields (9T) have been
measured for these nano-fibers. The early stages of crystalline domain
formation (heat treatment temperatures from 880 to 1200K) have been
explored and interpreted within the context of quantum phenomena. The team
proposes to continue the work at graphitization temperatures higher than
1200K and at the theoretical level from quantum and statistical mechanics
considerations. Also, in this collaboration, we plan to acquire equipment
for electronic transport measurements, similar to the one available at
UPENN, to be installed at UPR-HUMACAO.

Another interesting group of materials, which might help us in the
implementation of electronic nanodevices, are obtained by the
electrospinning of organo-metallic ceramic precursors such as metal
alkoxides. In this process we mix the different metal alkoxides with
suitable solvents such as xylene to obtain the viscosity needed for
electrospinning. By so doing we have been able to deposit fiber-like and
particle-like electro-active materials such as PZT and BaTiO3 [9]. The
idea behind the deposition of nanoscopic fibers (less than 100 nm in
diameter) is that considering the size and morphology of the materials, we
might be able to deposit ferroelectric structures, which are dielectrically
soft radially and hard axially. The PENN collaborator has access to a
modified AFM working as a Kelvin probe that is sensitive to electric charge
accumulation and resulting electric fields.

Another track we are following is the electrospinning of slurries (mixed
phases, solid/liquids) and ferroelectric polymers such as PVD (poly
vinylidene fluoride) and the co-polymers, P(VDF-TrFE) (with tri-
fluoroethylene) and P(VDF-TeFE) with tetra-fluoroethylene. The study of
electrospinning using blends of diluted PAN and solid particles (colloidal
graphite) have already started at UPR-HUMACAO [9a, 9b].


3 7.2 Sensors and Actuators Materials


Collaborators: Nicholas Pinto (UPR), Rogerio Furlan (UPR), Idalia Ramos
(UPR), Ana Guadalupe (UPR), Esther Vega (UPR), Wilfredo Otaßo (UPR), Jorge
J. Santiago-Aviles (PENN), Alan MacDiarmid (PENN), John DiNardo (DREXEL).

. Ceramic Based Devices

Low Temperature Co-Fired Ceramics (LTCC) [10] represents an alternative to
silicon in terms of MEMS fabrication and offers, in general, the
possibility of simpler fabrication processes. This material presents good
mechanical strength, thermal conductivity, and chemical
inertness. Additionally, it opens the possibility to obtain structures of
high aspect ratio (depth to width), allows obtaining three-dimensional
structures using multiple layers and is suitable for high temperature and
harsh environments applications. In this proposal we will explore the use
of LTCC as a replacement for silicon, aiming at microfluidic
applications. Conventional lamination processes and CNC techniques will be
used for the fabrication of microfluidic components including manifolds,
reservoirs, valves, pumps, and conduits. Also, microchannel technology
will be developed using Jet Vapor Etching (JVE) of LTCC [11]. JVE is a
novel, simple and comparatively inexpensive micro-fabrication process that
consists of locally dissolving the organic binder that is present in the
composition of the ceramic tape, allowing to define microchannels. JVE has
as one of its main features the possibility of fast prototyping, as it
allows direct definition of the etched pattern in a few hours. There is no
mask fabrication involved, no lamination of resist, and no pre-processing
(partially sintering) of the tape.

Both UPR-HUMACAO and PENN have similar JVE reactors that are being modeled
and characterized in this proposal. We have been systematically looking at
the solvent-solute interaction from the fundamental physico-chemical and
mechanical (fluid dynamics) principles. The characterization of the
solvent-solute interaction involves optical, SEM and scanning probe
microscopy, dielectric permitivity and organic/electrochemistry. The fluid
mechanic component has been addressed by numerical solutions/simulations.

. Materials Systems for Chemical Biosensors

In this proposal we will concentrate on the development of micro
biological/chemical sensors, aiming at the study of pre-concentration
microstructures, separation with electrophoresis, electrochemical
detection, and integration of sensors with fluidic systems. The
combination of pre-concentration microsystems [12] with capillary
electrophoresis (CE) [13] separation is very suitable given that volumes of
the order of nls are normally injected into the capillary. Thus, we
propose to build preconcentration systems in silicon and ceramics
substrates, sealed with glass that will be coupled with glass
capillaries. After the device construction, the substrate surface will be
modified with a stationary phase in order to promote the adsorption of the
analyte, such as transition metals. After desorption, the sample will be
introduced into the capillary by pressure, where the separation and
detection can be performed. The electrophoretic system will use a contact-
less conductivity detector with sensitivity comparable to UV-vis
photometric detection. Also, we propose to study and develop a hybrid
flow-injection analysis (FIA) system [14] to be integrated with chemical
sensors and electronics interface. The fluidic components will be
fabricated in LTCC and the electrochemical sensor will be fabricated in
silicon. Differential pulse anodic stripping voltammetry (DPASV) and
square-wave anodic stripping voltammetry (SWASV) are candidates for this
application due to their inherent characteristic of pre-concentration,
achieving part-per-billion sensitivity [15].

We also will explore the potential application of LTCC tapes for the
fabrication of DNA microarrays. In this case, advantage will be taken of
the JVE technique for building microchannels into LTCC tapes. The surface
of the microchannels will be modified with gold to make them conductive and
suitable for electrochemical measurements. Peptide nucleic acid probes
will be chosen to target specific DNA sequences. DNA sequences found in
waterborne pathogen organisms will be primarily targeted. Because it is
well known that traditional intercalators used to detect the hybridization
between ds-DNA do not function with ss-PNA and ss-DNA, part of this
research will also include the search for novel electroactive labels for
that purpose [16]. The labels will include cationic polymers like 4-
polyvinylpyridine copolymerized with electroactive transition metals. It is
expected that the electroactive polycations will only interact with the
negatively charged hybrid but not with uncharged ss-PNA, probe thus
providing a detection mechanism with a high signal to noise ratio.
Experiments will be conducted to develop microarrays for the simultaneous
detection of multiple DNA sequences for various organisms or as a way to
confirm the unequivocal presence of only one microorganism.

. Materials Systems for Micro (Nano) Fluidic Actuators and Sensors

Microfluidic actuators can be used for fluid flow control operations in
applications including analytical, biological and medical systems, among
others. Devices of this type with no movable part can be obtained using
microfluidic amplifiers (?FA's) [17]. These are microstructures fabricated
with sealed microchannels that have at least four basic functional parts:
supply nozzle, control ports, output ports, and an interaction region. The
flow emerging from the supply port generates a jet that interacts with
flows from the control ports in the interaction region. As a result, the
jet from the supply nozzle is directed to one output, depending on the
pressure or flow of the control inputs. Microfluidic oscillators can be
obtained from ?FA's by using feedback from the outputs to the control
inputs. These devices, besides being used as microactuators, can be also
used as sensors, as the oscillation frequency is proportional to the
volumetric flow [18]. We have studied ?FA's built from silicon with
minimum hydraulic diameters of the supply input nozzle of the order of 40
µm. For gas flow, we have demonstrated that control gains (output
flow/control flow) of up to 8 can be obtained in the same range as those
obtained in devices of large dimensions. Also, chocked flow with the
possibility of shock waves has been predicted, by experimental results and
numerical simulation, which is important for applications involving gas
mixture. For liquid flow we have observed promising results for control
with gas, a strong influence of the type of liquid (viscosity), and
hydrophobic effects in the silicon microchannels.

In this proposal we are going to develop and analyze high frequency
microfluidic oscillators implemented with silicon and ceramics technology.
Internal flow will be analyzed with numerical simulation. Fluids with
different viscosities slurries and mixed phases flow, where one of the
phases is considered a continuum and the second phase a quasi-monodispersed
nanometric particles system will be included. These fluidic oscillators
will be used to characterize the particles morphology and compliance
through the effect of particles loading in the slurry Einstein effective
viscosity, and the subsequent effect of viscosity on the device
characteristic frequency. The possibility of characterizing particles with
nano dimensions will be also investigated.

7.3 Mathematical Modeling and Simulations in Materials Science

Collaborators: Lesser Blum (UPR), JosÈ O. Sotero-Esteva (UPR), Michael L.
Klein (PENN), Preston Moore (USinP), Andrew Rappe (PENN), G.K.
Ananthasuresh ( PENN)

. Molecular modeling of complex systems

The purpose of this research is to develop calculation tools for research
of charged colloids and polymers of increasing degree of complexity. In
this project we will include tubular charged structures in general and
ionic channels in particular. This project will give graduate students from
UPR access to the resources and expertise of the CMM at PENN.

In terms of research, what we plan to do is to develop simple but faithful
models of complex tubular and channel structures that can be simulated for
the time required observing experimentally measured currents or transients.
Very efficient and insightful models have been recently developed at PENN
[19, 20].

One of our first goals is to investigate tubular structures using a three-
pronged approach: Analytical theory, Monte Carlo (MC) and molecular
dynamics (MD). We propose a hierarchy of simple models that can be adapted
for different circumstances of practical interest. Our initial goal is to
investigate the structure and thermodynamics using MD, MC and analytical
models. Once these are understood we will study dynamic properties, in
particular electrical conductance and mobility, using linear response
theory [21]. The conductance of this model will be investigated by
molecular dynamics. The simplest models that will be studied are the
'general' rigid ring and the flexible necklace model, which we now
describe.

The general rigid ring model: This model, which is analytically tractable,
can be deformed from a hole in a membrane configuration to a shape that is
close to a cylindrical pore. The necessary mathematical tools are discussed
in former work [22-24]. Monte Carlo and molecular dynamics simulations
will be carried out at CMM/ PENN in collaboration with M.L. Klein and
Preston B. Moore (now at the University of the Sciences in Philadelphia).
This work is part of the thesis of M. Andres Enriquez, a graduate student
of the UPR-RIO PIEDRAS, who has already made two month-long visits to PENN
under the existing CIRE.

The flexible polymer structure models: A second tractable model is the
flexible polymer model, which is closely related to the pearl-necklace
model so often used in polymer theory. In our model the pearls are of
arbitrary size and charge [25-27].

. Materials Process Analysis and Simulations

Numerical simulations of the JVE process [28], focusing on theory of fluid
dynamics and chemical dissolution, in particular the momentum transfer from
the jet, resulting momentum distribution and binder dissolution profile,
have been initiated and will be continued. For this purpose, a series of
time independent (steady-state) simulations of the process reactor,
dividing it into three parts, and using the results of each part to define
the boundary conditions of the subsequent part, will be undertaken.
Furthermore we will explore the dependence of the machined feature size on
the pressure, temperature, distance from the micromachined silicon nozzle
to the LTCC tape, and nozzle geometry.

. Simulations of materials flow in micro/nano devices

Numerical simulations will be used in the design and analysis of the
fluidic devices and the response of the materials transported. These
numerical tools are also necessary to investigate the behavior of the
internal flow, facilitating the analysis of fluidic mixing, vortex
formation, and turbulence phenomena, among other effects. Additionally, the
simulations are used to obtain operational characteristics of the fluidic
devices under study. In this case, different commercial packages including
ANSYS/FLOTRAN, FLUENT and COSMOS/FLOW will be considered in order to
explore their characteristics in terms of mathematical method (finite
element versus finite volume), internal turbulence model, and the
possibility of analyzing groups of particles.


EDUCATION AND OUTREACH PROGRAM


Collaborators: All UPR faculty, Educational Coordinator, Andrew McGhie,
John DiNardo, Jorge J. Santiago-AvilÈs.

. New MS degree in Physics of Materials

The UPR Board of Directors is currently considering a proposal submitted
by the Physics and Electronics Department of the UPR-HUMACAO to create a
new master's program in Physics of Materials. It will be the first
materials program offered in any university in Puerto Rico and the first
graduate program in Humacao. We expect to start the program with an
enrollment of 8 new students per year. The combination of courses,
laboratories, and the development of a final project will give the
students a strong background in the physics of materials.

. Undergraduate Research

We are committed to the integration of undergraduate students in research
activities as much as possible. Our previous experiences demonstrated
that undergraduate research activities stimulate the intellect,
creativity, and develop new skills among students. Those who have the
opportunity to work in a research environment are properly socialized and
equipped with valuable information to select graduate school and research
topics. For example, in the last 5 years approximately 40% of the
students in the Physics and Electronics Department have been involved in
undergraduate research experiences. This proposal will allow us to
continue providing research opportunities for the students and increasing
the number of minorities with advanced degrees in materials science
related areas.


Student and Faculty Exchange


In the Student and Faculty Exchange program, undergraduate, graduate
students and faculty spend a summer month working in a collaborating
institution in the US or Puerto Rico. Students and faculty will
participate as teams. Teams consist of at least a student and his/her
faculty mentor. The participation of students and mentors together
ensures the continuity of the efforts during the academic year. During
the exchange period the participants will have access to instrumentation
and library resources that are not available in their home institutions
and the opportunity to learn new techniques and exchange information with
collaborators. Faculty exchange will also be aimed at bringing more
experienced personnel from other institutions to UPR and providing
minority students and women students the opportunity to work in a
minority institution that has been successful in graduating minority
students and women minority students with science and engineering
degrees. Eight faculty and 15 students are expected to participate in
the exchange program every summer of the grant period.

. Curricular improvement with integration of topics in required courses

Materials research topics will be integrated in required and elective
courses, including "Numerical Analysis", "Computer Graphics" and "Bio-
materials technology". The activities will also include the set-up of a
materials science laboratory for a Physics Applied to Materials option,
modernization of the "Physics Intermediate Laboratories", and development
of electronic media for the modernized courses. We will coordinate our
laboratory resources in order to establish structured educational
experiments. Hands on experiments will be defined and implemented and a
complete manual (on-line and hard copy) including introductory aspects
and experiment descriptions will be elaborated.

. Multi-Disciplinary and multi-university workshops

Multi-disciplinary workshops focused on our collective research agenda
will be organized yearly, aiming to discuss and evaluate this proposed
multi-university program and to keep the participants in touch with the
most updated, innovative and relevant material science topics.

. Seminars and Videoconferences

In order to keep the groups integrated and to disseminate the most
relevant results obtained from research topics, seminars and
videoconferences will be held weekly. All faculty participants involved
in research and education activities will participate in this activity.

. Hands on workshops & open houses for elementary, middle/high school
students & teachers
Presentations on the subject of micro- and nano- sciences and technology
will be given during our annual hands-on workshops and open houses for
elementary, middle and high school teachers and students.

. Website for elementary, junior high and high school students

A website with our activities and main results will be prepared with the
aim of attracting motivated high school students.

. CDROM multimedia for high school students and courses impacted by this
proposal

In order to keep pace with the modern education, electronic media will be
developed, including web sites and CD ROMS with didactic material. This
material will be developed by the faculty (UPR-HUMACAO and PENN), with
the involvement of students, and will be shared with all units of the UPR
system and other institutions that may have interest in our activities.

. Shared experimental facilities with other researchers

We propose to organize our material science and computational
experimental facilities at UPR-HUMACAO allowing them to be shared with
other researchers and students involved. We will implement the "quasi-
virtual" instrumentation sharing using UPR-HUMACAO-Penn teleconferencing
facilities. All faculty participants involved in research and education
activities will be encouraged to participate in these activities.


MANAGEMENT PLAN


Figure 1 (p. 17) presents the organizational structure of the
collaborative. The new proposal will maintain the current collaborative
between PENN and UPR. The program will continue being administered at UPR
Humacao by the current PI (I. Ramos). The successful collaboration teams:
Polymers (Pinto-MacDiarmid), Sensors and Actuators Materials (Ramos-Furlan-
Santiago-AvilÈs), and Mathematical Modeling and Simulations in Materials
Science (Blum-Klein-Rappe) will expand their research and educational and
incorporate new participants.

J. Sotero from the Computational Mathematics Department will join the
Mathematical Modeling and Simulations group. E. Vega from the Biology
Department will join the Materials Science and Sensors and Actuators
Materials effort. A researcher from UPR-RIO PIEDRAS (A. Guadalupe) and one
from UPR-CAYEY (W. Otaßo) will also be part of the Sensors and Actuators
Materials group.

In our first program the participation of women undergraduate students has
been notable: over 50% during the second and third years of the grant. One
of our goals for this partnership is to maintain that rate of student
participation and to increase the participation of women minority faculty.
The total number of UPR faculty participating in research activities in
this proposal is 9, and 3 of them are women.

The Advisory Committee has played an important role in our Collaborative as
a sounding board on the programs and procedures being adopted. The members
of the Committee are six distinguished scientists from universities and
industries (CVs have been included with proposal):

o Luz Martinez-Miranda (University of Maryland)
o Estela Blaisten Barojas (George Mason University)
o Raphael Tsu (University of North Carolina)
o Luis SolÀ-Laguna (Dupont Electronics),
o Angel GarcÌa (Los Alamos National Laboratories)
o TomÀs DÌaz de la Rubia (Lawrence Livermore National Laboratory).

They participate in the annual meetings, review, and present a report to
the PIs on their perception of the program status as well as suggestions
for improvements. The specific responsibilities of the Advisory Committee
are: to play a leadership role and participate in strategic planning
related to the ongoing development and maintenance of the PREM; to assist
PREM faculty in maintaining awareness of current trends in research and
education; to provide advice to faculty on program design, content, and
resources.

A team of independent evaluators (Mirna Ayala, MarÌa del C. Cruz) with
experience in evaluating science research and education programs will
perform the ongoing evaluation and assessment of the program. A
description of the evaluation and assessment plan is presented in Table 2
(p. 18) of this proposal.

Funds are requested to hire an Education and Outreach Coordinator and an
Administrative Coordinator. The Educational and Outreach Coordinator will
be in charge of implementing all the educational and outreach activities of
the effort including seminars, workshops, webpage for students and
teachers, and videoconferences. In collaboration with the lab technician
he/she will develop the laboratory practices and demonstrations in
materials science. The Administrative Coordinator will be responsible
for the administrative aspects of the program in collaboration with the PI
and the Educational and Outreach Coordinator.

The PI in collaboration with the staff and faculty will be responsible for
the day-to-day implementation of the program. The weekly videoconferences
and meetings will be coordinated with A. McGhie from PENN. Attendance to
videoconferences and meetings will be mandatory to all students
participating in undergraduate and graduate research activities.

The Summer Exchange Program is designed to give collaborators and their
students the opportunity to work together for approximately one month, to
use facilities that are not available in their institutions and to plan for
future work. In addition, all the program participants (approximately 54
faculty and students) will meet once a year in UPR-Humacao during our
annual meetings. In this two-days meeting, the PI will present the progress
report of the program and all the students and faculty collaborators will
present the results of their research and education efforts. They will
have time to exchange ideas and to evaluate and discuss the future
direction of the effort. At the end of the annual meeting the Advisory
Committee will write a report with their recommendations


6 10.0 Assessment and Evaluation plan


The program will allow students and faculty to increase knowledge and
skills by doing research in material sciences and improving the education
curriculum. Continuous formative evaluation will be completed throughout
the program, especially during the first two years to find out if:
1) education activities were developed and carried out as planned,
2) audiences were from various target groups (minority, women,
undergraduate and graduate students and faculty), 3) students had the
opportunity to work in a team-based approach in research activities,
4) program content includes research experiences and meets objectives
stated, and 5) the program is a successful model for others in Puerto Rico
and in the United States.

Objectives will be measured and data analyzed by examining copies of
courses, syllabus, brochures, and other handout materials, questionnaires
by participants, discussion of focus groups and interview to main
staff. Summative evaluations will be carried out at the end of each year
by focus groups of faculty and students, surveying students and faculty
participating in the program and analyzing copy of publications (web page,
brochures, etc.). The evaluation plan is presented in Table 2 (p.18).

1 Table 1: Research and Education Activities


|Research Activities |Research Applications |Educational and Outreach Activities |
|1. Polymers | |
|a) Conductive Polymers |a) Thin film and fibers|a) New MS degree in Physics of Materials |
|(micro/nano) |organic transistors | |
| | |b) Undergraduate research |
|b) Polymer precursors to |b) Conductive fibers | |
|carbon fibers (micro/nano) |for interconnections |c) Student and faculty exchange |
| |and sensors | |
|c) Polymer/organic precursors| |d) Curricular improvement with integration of|
|to piezo ceramics |c) Piezo domains |topics to the following courses and |
|(micro/nano) |switching for |laboratories: Intermediate Physics Lab, |
| |micro/nano actuators |Numerical Analysis, Comp. Graphics, |
| | |Biotechnology |
| | | |
| | |e) Multi-Disciplinary and multi-university |
| | |workshops |
| | | |
| | |f) Seminars and videoconferences |
| | | |
| | |g) Hands on workshops for middle/high school |
| | |students and teachers |
| | | |
| | |h) Open houses with demonstrations and |
| | |hands-on participation for elementary, middle|
| | |and high school students |
| | | |
| | |i) Website for elementary, middle and high |
| | |school students |
| | | |
| | |j) CDROM multimedia for high school students |
| | |and courses impacted by proposal |
| | | |
| | |k) Shared experimental facilities with other |
| | |researchers |
|2. Sensors/Actuators Materials | |
|a) Ceramic based devices |a) High frequency | |
| |fluidic oscillators for| |
|b) Chemical Sensors |complex fluids | |
| |characterization | |
|c) Micro (Nano) Fluidic | | |
|Actuators and Sensors / |b) Electrochemical, | |
|Materials flow |bio-catalytic, and | |
| |bio-affinity sensors | |
|3. Mathematical Modeling/Simulations in Materials | |
|Science | |
|a) Molecular Dynamics |a) Modeling of complex | |
| |tubular and channel | |
|b) Process Analysis and |molecular structures | |
|Simulations | | |
| |b) Ceramics processing | |
|c) Fluidic Devices |analysis/characterizati| |
|Simulations |on | |
| | | |
| |c) Fluidic devices | |
| |design and analysis of | |
| |internal flow and | |
| |operational | |
| |characteristics | |
Figure 1: Organizational Structure PENN-UPR Partnership for Research and
Education in Materials


































2 Table 2: Evaluation Plan


| | | | |
|Goals and |Evaluation Questions |Data Collection Method |Type of |
|Objectives | | |Evaluation |
| | | |(F = Formative,|
| | | | |
| | | |S= Summative) |
| | | | |
|To develop |Were the multi disciplinary, |Copy of the program |F and S |
|multidisciplinary, |multi-institutional and research and |Copy of the activities | |
|multi-institutional |education activities developed? |schedule | |
|research and education |Were they offered as planned? |Copy of participants | |
|activities in Polymers,|Were the activities evaluated by |evaluations | |
|Sensors and Actuators |participants? |Questionnaire to | |
|Materials, and |Were the activities of high quality |participants and staff | |
|Mathematical Modeling |(accuracy of information, depth of | | |
|and Simulation in |coverage, etc.)? | | |
|Materials Science | | | |
|(Goal) | | | |
| | | | |
|To provide more |Was the audience from the various |List of participants |F and S |
|research and |target groups (minority, women, |Copy of participants | |
|educational |undergraduate and graduate students |evaluations | |
|opportunities in |and the faculty)? | | |
|material sciences for |Did activities emphasize research and| | |
|minority and women |education as stated in the program | | |
|minority undergraduate,|description? | | |
|graduate students and | | | |
|faculty (Goal) | | | |
| | | | |
|T |Did students have the opportunity to |Questionnaire to |F and S |
|o integrate |work in a team based approach in |participants and staff | |
|undergraduate and |research activities? | | |
|graduate students in | | | |
|materials research | | | |
|activities and | | | |
|team-based projects as | | | |
|relevant to industrial | | | |
|applications as | | | |
|possible | | | |
| | | | |
|To implement the first |Was the program implemented? |Copy of the courses |F and S |
|graduate program in |How many students are registered in |offered | |
|Physics of Materials in|the program? |Questionnaire to | |
|Puerto Rico |How many of the students are |participants | |
| |minorities? | | |
| | | | |
|To modernize required |How many required courses were |Copy of the courses |F |
|courses introducing |modernized? |syllabus | |
|materials research |Does the course content reflect | | |
|experiences |research experience opportunities? | | |
| | | | |
| | | | |
|To expand the enriching| | | |
|exchange program for | | | |
|faculty and students |Did the exchange activities for |Copy of the activities |F |
| |faculty and students reflect new |completed | |
| |content, methods and experiences? |Evaluation by | |
| | |participants | |
| | | | |
|To develop an outreach |Was the outreach program developed? |Copy of the outreach |F |
|program for elementary,|Did the outreach program target |program | |
|middle and high school |students and teachers? |List of participants | |
|students and teachers |Did the program accomplish its |Focus groups | |
|in materials sciences |objectives? | | |
| | | | |
|To share experimental |Did researchers from PR and US |Copy of publications |F and S |
|facilities with other |publish research done in UPR-HUMACAO | | |
|researchers in PR and |facilities? | | |
|the US |Are a significant number of | | |
| |researchers from UPR-HUMACAO and US | | |
| |sharing experimental facilities? | | |
| | | | |
|To strengthen the |Is the infrastructure for research |Interview PI, CoPi, Staff|F and S |
|infrastructure for |and education in Materials Sciences |and researchers | |
|research and education |at UPR-HUMACAO updated with the | | |
|in Materials Sciences |necessary equipment and materials? | | |
|at UPR-HUMACAO | | | |
| | | | |
|To promote our program |Was the program a successful model? |Evaluation by |S |
|as a model of a |Were the results published? |participants and visiting| |
|successful | |faculty | |
|collaborative effort | |Copy of publications(web | |
| | |page, brochures, etc.) | |
11.0 Dissemination


In order to promote an extensive dissemination of our combined research-
curriculum development, we will be offering workshops, open houses, and
laboratory demonstrations for faculty and students of other universities,
schools and industry. The participants will visit our facilities or we
will communicate with them using the videoconferencing facilities obtained
under the aegis and support of NSF. The information developed as a result
of this program, including that in CD ROM format, will be offered to the
other units of the UPR system and to any other institution interested in
our results. Publications, presentations by faculty and students and the
web page will make our results available to the scientific and educational
community.


12.0 IMPAct of the Proposed Project


The impact of this proposal will be substantial. The UPR-HUMACAO is the
largest producer of undergraduate physics/chemistry and computational
mathematics majors on the island. Continuity from the B.S. level to
graduate school will be sustained. Undergraduates at UPR-HUMACAO and other
participating institutions will be given the unique opportunity to engage
in undergraduate research and to interact with mainland students with the
unavoidable consequence as motivation to pursue graduate school. The
faculty sense of self worth is greatly enhanced by participating as co-
investigators with leaders in their fields. This has led to multiple
research projects (many of them NSF sponsored or submitted to NSF) that
have increased faculty collaboration and made research at UPR truly
multidisciplinary in nature. The new instrumentation will enhance the
research infrastructure and the quality of the academic program.

New research capabilities will be made available which has the prospect of
attracting even more faculty into research thereby increasing the pool of
scientists on the island. By involving faculty from other units of UPR
(UPRRP and UPR-CAYEY) the extent of the collaborative will be enhanced by
at least 50% and the number of students that participate in this project
will increase. This will serve two purposes, it will help establish a
credible research environment in the south-east part of the island. It will
also serve as a motivating factor in inviting local high school students to
campus and demonstrating the various research projects undertaken by
undergraduates some of whom they may even recognize.

Finally, this partnership will help us start a new program to offer a
Master's degree in the Physics of Materials Research, which at the moment
is under consideration with the UPR Board of Directors. This
collaborative, initiated under the NSF-CIRE sponsorship has shown a great
deal of influence in the attitude, involvement, and level of scholarly
endeavors of the undergraduates and faculty at UPR-HUMACAO. The
collaborative impact will be highly incremented if a continuity of
resources is provided.
-----------------------
Staff
Educational and Outreach Coordinator
Administrative Coordinator

Research and Education Groups








Program Director
I. Ramos, UPR

Mathematical Modeling/Simulation

M.L. Klein, PENN
L. Blum, UPR-RIO PIEDRAS
J. Sotero, UPR-HUMACAO
S. Ananthasuresh, PENN
P. Moore, USinP
A. Rappe, PENN

Chancellor, UPR-HUMACAO
H. ColÑn-Plumey

Advisory Committee
E. Blaistein, GMU
L. J. MartÌnez, UMD
R. Tsu, UNC
L. SolÀ, Dupont
A. GarcÌa, Los Alamos
T. Diaz de la Rubia, Lawrence Livermore

Sensors/Actuators

J. Santiago-AvilÈs, PENN
R. Furlan, UPR-HUMACAO
I. Ramos, UPR-HUMACAO
A. Guadalupe, UPR-RIO PIEDRAS
E. Vega, UPR-HUMACAO
W. Otaßo, UPR-CAYEY
J. DiNardo, DREXEL


Polymers

A. MacDiarmid, PENN
N. Pinto, UPR-HUMACAO
A. McGhie, PENN
J. Santiago-AvilÈs, PENN
I. Ramos, UPR-HUMACAO
R. Furlan, UPR
A.T. Johnson, PENN




Assessment +Evaluation
M. Ayala, M. Cruz

Co PI
M.L. Klein, PENN