*A National Science Foundation Materials Research Science and Engineering Center (MRSEC)
Participants will assess current capabilities for addressing critical problems in industrial materials technology through theory and simulation across the length scales characteristic of electronic-structure, atomistic, and microstructure modeling. Workshop is the third in a coordinated series aimed at fostering collaborations between universities and industry, with the participation of government laboratories.
Plenary and two Invited Poster Sessions will be held at the Cambridge Center Marriott Hotel, Kendall Square, Cambridge. A block of rooms, under designation "MIT Multiscale Materials Prediction", has been reserved at the Marriott for September 13-15 at $155 per night; these will be released on August 24.
9 AM Opening Remarks
9:10 Session I: Methods and Applications (chair: J. Joannopoulos)
M. Cohen (UC Berkeley) , "Predicting Properties of Materials"
K. Kremer (MPI-Mainz, Germany), "From Microscopic to Semi-Macroscopic
Polymer Simulations"
(Break, 10:30-11:00)
J. F. Harris (MSI, San Diego), "Some Issues in Industrial Materials
Modeling"
G. Olson (Northwestern Univ), "Systems Design of
Hierarchically-Structured
Materials: Advanced Steels"
(Lunch, 12:20-2:00)
O. Richmond (ALCOA), "On the Need for Chemicomechanical Modeling and
Experiments in Alloy Development"
G. Martin (Saclay, France), "Modelling Configurational Kinetics in
Driven Alloys"
(Break, 3:20-3:50)
C. Gandin (EPFL, Switzerland), "Modeling Dendritic Structures by Means of Cellular Automata"
Invited Posters (Presentations and Open Viewing)
9 AM Session III: Mechanical Behavior (Chair: -- A. Needleman)
J. R. Rice (Harvard Univ), "3D Elastodynamics of Cracking through
Heterogeneous
Solids: Crack Front Waves and Growth of Fluctuations"
F. Abraham (IBM-Almaden), "Instability Dynamics in Rapid Fracture:
Studying Materials Failure Using Millions of Atoms"
(Break, 10:20-10:50)
L. Kubin (CNRS-ONERA, France), "Mesoscopic Simulations of Dislocations
and
Plasticity"
U. W. Suter (ETHZ, Switzerland), "Atomistic-Level Modeling of
Mechanics of
Polymer Solids"
(Lunch 12:20-2:00)
K. Binder (Univ Mainz, Germany), "Simulation of Interfaces between
Coexisting
Phases in Materials"
D. Wolf (Argonne National Lab), "Interfacially Controlled Atomic
Structure and
High-Temperature Behavior of Polycrystalline Microstructures"
(Break, 3:20-3:50)
A. Sutton (Oxford Univ), "Electrical and Mechanical Properties of Metallic Nano-Contacts"
Invited Posters (Presentations and Open Viewing, 4:30-7:00)
9 AM Session V: Special Materials (Chair: E. Kaxiras)
D. Vanderbilt (Rutgers Univ), "Ferroelectric Instabilities in
Perovskites"
M. Boyce (MIT), " Microstructure and Mechanical Performance of
Polymeric Materials:
Toughening Semi-Crystalline Polymers"
(Break, 10:20-10:50)
S. Suresh (MIT), "Coupled Effects in Layered Structures, Thin Films
and
Piezoelectric Solids: Modeling and Experiments"
J. Joannopoulos (MIT), "Microphotonic Materials and Structure"
(Lunch, 12:10-1:40)
G. Gilmer (Lucent Tech), "Simulation of Silicon Device Processing
Using
Atomistic Models"
K. Jensen (MIT), "Multiscale Simulations of Thin Film Growth - Linking
Quantum Chemistry, Monte Carlo and Finite Element Predictions of
Semiconductor Growth Processes"
Concluding Discussions (3:00-3:30)
Workshop attendance will be limited to 130 participants, registration cutoff August 15. Registration Fee: $150. All posters are invited. Interested contributor should give title and brief abstraction on Registration Form. Further information and update: http://www.mit.edu/people/syip/syip.html
Local Organizing Committee: L. Anand, T. Arias, M. Bawendi, M. Boyce, G. Ceder, J. Clark, G. Dresselhaus, K.Jensen, E. Kaxiras, G. Rutledge, M. Spearing, J. R. Williams
External Advisory Committee: J. S. Langer (UCSB), A. K. Cheetham (UCSB), U. W. Suter (ETH Zurich), J.C.Williams(GE)
Coordinators: R. A. Brown, J. Joannopoulos, S. Suresh, S. Yip (chair)
We know of a good number of colleagues who have exciting and timely contributions for the Workshop, but because of the compact three-day schedule we are not able to invite everyone to take part in the plenary talks. Because we believe these contributions can be just as important, we wish to provide a suitable forum to bring them before all the Workshop Participants.
The format by which we will include additional contributions is to designate two special periods in the program as Invited Poster Sessions, to be held as part of the plenary program, immediately following the scheduled talks on the first two afternoons. Each Session will begin with brief presentations (3 min each) of the posters in the Session, followed by an open-ended period of viewing and discussion. Currents plans are to designate certain member(s) of the Local Organizing Committee to make the presentation on behalf of all the authors, using for each poster a single viewgraph specially prepared by the authors
Anyone who wishes to contribute an Invited Poster should send in a Registration Form giving the title and brief abstract. Feel free to contact anyone connected with workshop organization if that person is most knowledgeable person in your area. Once we know of your interest, we will follow up with the necessary further details.
Abraham, Farid
farid@almaden.ibm.com
"Instability Dynamics in Rapid Fracture: Studying Materials
Failure Using
Millions of Atoms"
Allen, Samuel
Prof., DMSE, MIT, smallen@mit.edu, (fx) 8-7874, (ph) 3-6939
Baca, Adra
Member of Tech. Staff/Materials Research, AMP, Inc.
asbaca@amp.com, (fx) 717-592-7945, (ph) 717-592-7942
Binder, Kurt
binder@chaplin.physik.uni-mainz.de
"Simulation of Interfaces between Coexisting Phases in Materi
als"
Boyce, M.
mcboyce@mit.edu, (ph) 617-253-2342
"Microstructure and Mechanical Performance of Polymeric Materials:
Toughening Semi-Crystalline Polymers"
Breedis, John
Materials Engineer,
AMP, Inc. jjbreedi@amp.com, (fx)
717-92-7945, (ph) 717-592-7943
Cassenti, Brice
Senior Principal
Engineer, United Technologies Res. Ctr., Hartford, cassentibn@utrb.utc.com,
(ph) 860-610-7526
Chang, Jim C.I.
Director, Aerospace &
Mat Sci Directorate, AFOSR, Bolling AFB, DC, jim.chang@afosr.af.mil, (fx)
202-767-4988, (ph) 202-767-4987
Chizmeshya, Andrew
Dr., Dept. of
Physics, Arizona State University, Tempe, AZ, chizmesh@mrg1.la.asu.edu,
(ph) 602-965-0667, abstract forthcoming
Cohen, Marvin
cohen@jungle.berkeley.edu
"Predicting Properties of Materials"
Condat, Marc
Vice Manager, Chemical
Sciences Dept., CNRS (Centre National de la Recherche Scientifique),
marc.condat@chrs-dir.fr,
or secretariat.condat@cnrs-dir.fr
(fx) 33-144-965-010, (ph) 33-144-965-096
Coronell, Dan
Section Manager,
Equipment Stimulating Group, Austin , TX, dan_coronell@emialsps.mot.com,
(fx) 512-933-5262, (p h) 512-933-2051
Demkov, Alex
Dr.
Sr Staff Scientist, Predictive Eng. Lab., Motorola, Inc.,
Mesa, AZ alex_demkov@email.sps.mot.com,
(fx) 602-655-5013, (p h) 602-655-2454
"Theoretical Investigation of the Initial Oxidation
of Si"
DePristo, Andrew E.
Dr., Interim Program Manager, Materials Science Div., DOE
Derby, James
R&D, Materials, EG&G, Cranston, RI,
jderby@egginc.com, (fx) 401-463-6820, (ph) 401-463-5270
Fitzsimmons, Timothy
Div. of Materials Sciences, US DOE
tim.fitzsimmons@oer.doe.gov,
(fx) 301-903-9513, (ph)
301-903-9830
Fossey, Stephen
Materials Res. Eng., US Army Natick RD&E Center
sfossey@natick-emh2.army.mil, (fx) 508-233-5521, (ph
) 508-233-5360
Gandin, Charles Andre
gandin@epfl.ch5
"Modeling of Dendritic Grain Structures by Means of Cellular
Automata"
Gilmer, George
ghg@lucent.com
"Simulations of silicon device processing using atomistic mo
dels"
Grujicic, Mica
Prof., Mech. Eng., Clemson Univ.
mica@ces.clemson.edu, (fx)
864-656-4435, (ph) 864-65 6-5639.
His collaborator, Dr. Genrich, will provide poster i
nfo.
Harris, John F.
EOM/TMM Director,
Molecular Simulations, Inc., San D iego, jfh@msi.com, (fx) 619-458-0138, (ph)
619-548-5367
"Some Issues in Industrial Materials Modelling"
Heaney, Michael B.
Sr. Staff Scientist, Raychem Corp., Menlo Park, CA
mheaney@raychem.com,
(fx) 415-361-6405, (ph) 415-361 -2484
"A Peridation Model of the Temperature Dependent Res
istivity in
Disordered Carbon-Black Polymer Composites,"
Michael Heaney and Heidi Pan
Jensen, Klaus
kfjensen@mit.edu
"Multiscale Simulations of Thin Film Growth - Linking Quantu
m Chemistry,
Monte Carlo & Finite Element Predictions of Semiconductor Gr
owth Processes"
Kaburaki, Hideo
Principal Researcher, Group Leader, Ctr for Promotio
n of
Computational Sci & Eng., Japan Atomic Energy Resear
ch Institute,
kaburaki@sugar.tokai.jaeri.go.jp, (fx) 81-29-282-682
6, (ph) 89-29-282-6070
"Intrinsic Crossover Mechanism for Thermal Conductio
n in Rare-Gas Crystals"
Kai, Zhang
Development Eng., Parker Hannifin, Woburn, MA,
(fx) 617-939-4155, (ph) 617-939-4127
Kniazzeh, Alfredo
Polaroid, Waltham,
Kniazzeh@polaroid.com, (fx) 617-386-1484, (ph) 617-3
86-1620
Kohn, Robert V.
Professor, Courant Institute, New York University,
kohn@cims.nyu.edu, (fx) 212-995-4121
Kremer, Kurt
kremer@th01.mpip-mainz.mpg.de
"From Microscopic to Semi-macroscopic Polymer Simulations"
Kriven, Waltraud (Trudy)
Professor, Mat Sci & Eng, U Illinois Urbana-Chanpaign,
w-kriven@uiuc.edu, (fx)
217-244-6917, (ph) 217-333-5258
"Toughening of Ceramic Composites by Transformation
Weakening of Interphases"
Kubin, Ladislas
kubin@onera.fr
"Mesoscopic Simulations of Dislocations and Plasticity"
Lipton, Robert
Professor, Dept. of Material Sciences, Worcester Pol ytechnic
Inst., MA, lipton@wpi.edu, (ph)
508-831-5321
Mailhiot, Christian
Division Leader, Physics Dept.,
Lawrence Livermore Nat. Lab.,
mailhiot@llnl.gov, (fx)
510-422-9488, (ph) 510-422-5 873
Martin, Georges
martin@srmp12.saclay.cea.fr
Marx, Klaus
FV/FLT,
Robert Bosch GmbH,
klaus.marx@pcm.bosch.de, (fx) 49-711-811-7617, (ph)
49-711-811-6031
Monette, Liza
Program Leader, Advanced Composite, Exxon R&E, Annan
dale, NJ, lmamone@erenj.com, (fx) 908-730-3355, (ph) 908-730-2329
Moulin, Antoine
Laboratoire de Metallurgie Structurale, Universite P
aris Sud,
amoulin@isma.isma.u-psud.fr, (fx) 33-69-15-78-33, (p
h) 33-69-15-67-08
"Study of the plasticity of silicon at a mesoscopic
scale by numerical 3D simulation"
Olson, Greg
olson@elmo.tech.nwu.edu
Rafii-Tabar, Hashem
Head of Res., Nano-Sci Simul Grp, Schl Math Sci, Uni
v Greenwich, UK,
H.Rafil-Tabar@gre.ac.uk, (fx)44-181-331-8665, (ph) 4
4-181-333-8548
"Multiscale Atomistic-Continuum Modelling of Crack P
ropagation in 2D
Metallic Plates"
Richmond, Owen
Rice, James R.
rice@husm.harvard.edu
"3D Elastodynamics of Cracking through Heterogeneous Solids:
Crack Front
Waves & Growth of Fluctuations"
Rodgers, Brendan
Chief Engineer, Goodyear Tire & Rubber Co., Akron, O
H,
usgtrvs9@ibmmail.com, (fx) 330-796-8818, (ph) 330-796-4856
Rodin, Gregory
Assoc. Prof., Aeorspace Eng. & Eng. Mechanics,
Univ. Texas at Austin,
gjr@ticam.utexas.edu, (fx) 512-471-5500, (ph) 512-471-4230
"Application of the fast multipole method to microme
chanics"
Schmauder, Siegfried
Professor Dr. rer. nat.,
MPA Stuttgart, University of Stuttgart,
schmauder@mpa.uni-stuttgart-de,
(fx) 49-711-685-2635, (ph) 49-711-685-2556
"Micromechanical Modelling of the Mechanical Behavior
of Composites,"
Schmauder, Dong, Lessle
Suresh, Subra--Overview/Keynote speaker
ssuresh@mit.edu
"Fundamental & Practical Issues in the Modeling of Layered M
aterials for
Structural Components & Microelectronics," (tentative)
Suter, Ulrich W.
suter@ifp.mat.ethz.ch5
Sutton, Adrian
adrian.sutton@materials.oxford.ac.uk
"Electrical and Mechanical Properties of Metallic Nano-Conta
cts"
Tadmor, Ellad
Postdoc, Div. of Eng & Applied Sci, Harvard, Gordon
McKay Laboratory, tadmore@cmt.harvard.edu, (fx) 617-496-4654, (ph) 617
-496-0060
Tang, Meijie
Physicist, H-Div./P&ST, Livermore NL, CA,
meijie@llnl.gov, (fx)
510-422-6594, (ph) 510-422-2415
"A Mesoscopic Approach to Dislocation Mobility and t
he Mechanical
Response in bcc Single Crystals"
Tasaki, Ken
Ph.D.,
Chief Scientist, Mitsubishi Chemical America, San Jo
se, CA,
tasaki@mcaca.com, (fx) 408-954-8494, (ph) 408-232-6229
Tewary, Vinod
Physicist, Materials Reliability Div., NIST, Boulder
, CO,
tewary@boulder.nist.gov, (fx) 303-497-5030, (ph) 303-497-5753
Thomas, Edwin
Prof., DMSE, MIT,
elt@mit.edu, (fx) 617-258-7874, (ph) 617-253-6901
Vanderbilt, David
dhv@physics.rutgers.edu
"Ferroelectric Instabilities in Perovskites"
Visintainer, Jim
Dr.,
R&D Assoc., Goodyear Tire & Rubber Co., Akron, OH,
(ph) 330-796-4673
Wang, Cai-Zhuang
Physicist, Iowa State U & DOE, Ames, IA,
wangcz@ameslab.gov,
(fx) 515-294-0689, (ph) 515-294-6934
"Atomistic Simulation of Materials Using Environment
-Dependent
Tight-Binding Potentials"
Wang Jian-Sheng
Research Scientist, Div. Eng. & Applied Science, Har
vard,
wang@husm.harvard.edu, (fx) 617-496-9771,
(ph) 617-496-8245
"Why L12 intermetallics are brittle and how to make
it ductile"
Williams, James C.
jim.c.williams@ae.ge.com
Wolf, Dieter
dieter_wolf@qmgate.anl.gov
"Interfacially Controlled Atomic Structure and High-Temperat
ure Behavior of
Polycrystalline Microstructures by Molecular Dynamics Simula
tion"
Wong, Channy
SMTS, Sandia National Lab, Albuquerque, NM,
ccwong@sandia.gov,
(fx) 505-844-4523, (ph) 505-844-3530
Wu, Shi-Yu
Professor, Dept. of Physics, University of Louisvill
e, KY,
sywy0001@capella.physics.louisville.edu,
(fx) 502-852-0742, (ph) 502-852-3335
Zhang, Shuguang
Principal Res. Sci., Biology, MIT,
(fx) 617-258-0204, (ph) 617-258-0208
"Molecular Modelling of Self-Assembling peptide Mate
rials in Biology
and Engineering"
Zhu, Jing
Physicist, H-Div., Livermore NL, CA,
zhu1@llnl.gov, (ph) 510-422-2178