Abstracts Book - IMRC 2018

• SD2-O008 Invited Talk
INTEGRATED DESIGN OF FUNCTIONAL MATERIALS
Bobby Sumpter 1
1 Oak Ridge National Laboratory, Center for Nanophase Materials Sciences, United States.
Recent technical advances in the area of nanoscale imaging, spectroscopy and
scattering/diffraction have led to unprecedented capabilities for investigating
materials structural, dynamical and functional characteristics. At the same time,
recent advances in computational algorithms, including deep learning
approaches, and computer capacities that are orders of magnitude larger and
faster have enabled extreme-scale simulations of materials properties starting
with nothing but the identity of the atomic species and the basic principles of
quantum and statistical mechanics and thermodynamics. Along with these
advances, enormous amounts of high-resolution data have emerged (both
experimental and theoretical). This confluence of capabilities, information, and
the availability of high-quality data offers new opportunities for advancing
materials sciences. In this talk I will discuss how we can probe, in-situ, important
aspects of chemical reactions and hierarchical assembly, and with feedback,
precisely impart directed energy (electrons, ions, photons) to sculpt and/or forge
materials at the nanoscale. Furthermore, the ability to image in near real time,
enables application of a deep learning framework capable of efficient
identification of structures that break a crystal lattice periodicity, thereby
allowing very efficient mapping of solid state reactions and transformations
These advances are rapidly transforming our ability to “direct matter” and is
positioning us to move previous 2D control at the atomic scale to 3D control
across length scales.
Acknowledgment:
This research was conducted at the Center for Nanophase Materials Sciences,
which is a US Department of Energy Office of Science User Facility.
Keywords: Simulation, Deep Learning, Imaging
Presenting authors email: sumpterbg@ornl.gov