LESSONS FROM NATURE
Biological and bio-inspired materials – Nanomaterials - Atomistic modeling
19-20 April 2010
Professor Markus J Buehler, Laboratory for Atomistic and Molecular Mechanics at MIT, will
visit NTNU and give lectures covering background and recent advances in atomistic
modeling and simulation in biological and bio-inspired materials and nanomaterials. There
will also be presentations from NTNU and SINTEF. The seminar is an integrated part of the
topic TMM4162/MM8406 Atomistic Modeling of Materials Failure, and is open to all
interested students.
Time: 19-20 April 2010
Place: Meeting area between Chemistry buildings 1 and 2.
The seminar is is co-organized by NTNU-NanoLab and Strategic Area Materials at NTNU
and is free of charge. However, registration is required by the 12th of April 2010, to
hanna.gautun@nt.ntnu.no.
Monday 19 April
12.15-13.00
How protein materials balance strength, robustness and adaptability.
Elasticity, deformation and fracture of biological protein materials and other
biopolymers, hierarchical structures – from nano to macro. Markus Buehler
13:00-14.00
Biomimetic and bioinspired materials.
Design and synthesis strategies for the next generation of high performance
engineering composite materials. Markus Buehler
14.00-14.30
Coffee
14.30-15.00
Handshaking between continuum- and atomistic mechanics – temperature
and dynamic effects, Erling Østby, SINTEF
15.00-15.30
Adaptive homogenization for multiscale modelling, Trond Kvamsdal, Dept
Mathematics, NTNU
15.30-16.00
Stress corrosion of silicate glasses: fracture and damage at the nanoscale,
Elisabeth Bouchaud, CEA-Saclay, France
16.00-16.30
Multiscale modeling of hierarchical protein materials, spider silk and deep sea
sponges. Collagen: biology's super glue. Bottom up models - from collagen triple
helices to bones and tendon . Markus Buehler
16.30-17.00
Coffee
17.00-17.45
Recent developments in modeling and applications of carbon nanotubes and
other nano-materials. Applications to mechanomutable materials. Markus Buehler
18.00
Dinner
Tuesday 20 April
09.15-10.00
Fracture mechanics of proteins: Fundamentals and bottom-up modeling.
Atomistic-level simulation approaches. Force field potentials for biological
materials. Flaw tolerant protein networks. Markus Buehler
10.15-10.45
Novel spectroscopic tools for studies of amyloid protein states.
Mikael Lindgren, Dept of Physics, NTNU
10.45-11.15
Nanoscale probing of the biopolymer energy landscape: selected
examples, Marit Sletmoen and Bjørn Torger Stokke, Dept of Physics, NTNU
11.15-11.45
Molecular models of electrostatics in force fields.
Per Olof Åstrand, Dept of Chemistry, NTNU
11.45-12.15
Mitral valve mechanics: using microstructural observations as basis for
physiological modeling and numerical analysis.
Bjørn Skallerud, Dep of Structural Engineering, NTNU
12.15-13.15
Lunch
1315-13.45
Towards Petascalecomputing@NTNU. Bjørn Lindi, Dept Information
Technology, NTNU
13.45-1415
14.30-15.00
Effect of atomistic surface steps on the Brittle to Ductile Transition,
Christian Thaulow, Dept Engineering Design and Materials, NTNU
Case study on bioinspired hierarchical nanocomposites. Dipanjan Sen, Graduate
student, MIT
Brief biography – Markus Buehler
Markus Buehler is the Esther and Harold E. Edgerton Associate
Professor in the Department of Civil and Environmental Engineering at
the Massachusetts Institute of Technology. Before joining MIT in 2005,
he served as the Director of Multiscale Modeling and Software
Integration at Caltech’s Materials and Process Simulation Center. After obtaining a M.S. in
Engineering Mechanics from Michigan Tech, he received a Ph.D. in chemistry from the Max Planck
Institute for Metals Research. Professor Buehler’s research focuses on bottom-up simulation of
structural and mechanical properties of biological, bioinspired and synthetic materials across multiple
scales, with a specific focus on materials failure from a nanoscale and molecular perspective. His
recent work has focused on applying a computational materials science approach to study materials
failure in biological systems, including the investigation of material breakdown in diseases. Professor
Buehler has published more than 100 articles on computational modeling of materials using various
types of simulation techniques. He was cited as one of the top engineers in the United States between
the ages of 30-45 through invitation to the 2007 National Academy of Engineering-Frontiers in
Engineering symposium of the National Academy of Engineering. Professor Buehler has also
received the 2007 National Science Foundation CAREER award, the 2008 U.S. Air Force Young
Investigator Award, the 2008 Navy Young Investigator Award, and the 2008 DARPA Young Faculty
Award. In 2009, his work was recognized by the Presidential Early Career Award for Scientists and
Engineers (PECASE).
Dipanjan Sen (PhD student MIT)
Atomistic and mesoscale modeling of mechanics of bio-inspired metal matrix composites
Abstract: The nanostructural makeup and hierarchical assembly of natural composite materials such
as bone or nacre are crucial for their superior mechanical properties over their constituent phases,
providing high strength and toughness at high stiffness. However, the transfer of similar mechanical
properties to functional metal-matrix composites remains challenging. Here we propose the design of
a hierarchical biomimetic metal-matrix nanocomposite inspired by the structural motif found in
biological materials. The deformation response to tensile loading of a biomimetic metal-matrix
nanocomposite is firstly studied using molecular dynamics. Maximization of flow strength of the
nanocomposite is observed through breakdown of dislocation-mediated plasticity at platelet
dimensions of nanometers. The response to tensile loading, of the nanocomposite with two levels of
structural hierarchy, is next probed through atomistically-informed mesoscale lattice-spring
simulations. In particular, general design strategies to maximize material toughness and strength
simultaneously through assembly at two or more levels of hierarchy are explored. We observe that
geometric confinement at each structural level maximizes strength and toughness of the material. The
discussion concludes with an illustration of how hierarchical designs can be used to optimize the
material behavior at different levels in a material’s organization, leading to superior performance.