http://www.csm.ornl.gov News and Science for CSMD http://www.csm.ornl.gov/newsite/events.html#rvengazhiyil We will start the talk with a newly developed space-filling design, called minimum energy design (MED). The key ideas involved in constructing the MED are the visualization of each design point as a charged particle inside a box, and minimization of the total potential energy of these particles. It is shown through theoretical arguments and simulations, that under regularity conditions and proper choice of the charge function, the MED can asymptotically generate any arbitrary probability density function. This new design technique has important applications in Bayesian computation and uncertainty quantification. The second part of the talk will focus on model calibration. The commonly used Kennedy and O'Hagan's (KO) approach treats the computer model as a black box and therefore, the statistically calibrated models lack physical interpretability. We propose a new framework that opens up the black box and introduces statistical models inside the computer model. This approach leads to simpler models that are physically more interpretable. Then, we will present some theoretical results concerning the convergence properties of calibration parameter estimation in the KO formulation of the model calibration problem. The KO calibration is shown to be asymptotically inconsistent. A new approach, called L2 distance calibration, is shown to be consistent and asymptotically efficient in estimating the calibration parameters. http://www.digitalmanufacturingreport.com/dmr/2012-10-25/a_new_era_in_automotive_engine_development_driven_by_hpc.html CSMD researcher Sreekanth Pannala was interviewed about high performance computing's role in the development of new engines. http://www.csm.ornl.gov/newsite/news.html#bo_liu CSMD researchers Bo Liu and Yehuda Braiman (along with ORNL researcher Yun Liu) have been awared a patent for their invention: V-shaped Resonators for addition of broad-area laser diode arrays. http://www.csm.ornl.gov/newsite/highlights.html#an_integrated A new database-driven website, isotopes.gov, has been designed and developed for the National Isotope Development Center (NIDC), which is the sole government source of stable and radio-isotope products for science, medicine, security, and applications. Since going live in May 2011, isotopes.gov has provided customers detailed information concerning NIDC activities, funding opportunities, jobs and training, meetings and workshops, outreach and education, production research, and the Isotope Business Office (IBO). http://www.csm.ornl.gov/newsite/highlights.html#hightemperature_transformation The high-temperature conversion of single-wall carbon nanohorns and surface-decorated iron nanoparticles into a new type of nanooyster structure is examined both experimentally and theoretically. Nanooysters are so-named because iron nanoparticles become enclosed within a single-wall or multiwall carbon capsules resembling pearls at one end of an oyster shell. http://www.csm.ornl.gov/newsite/highlights.html#in_situ_formation CSMD researcher Bobby Sumpter is part of a team that demonstrated a facile one-pot method for preparing functional materials based on pyridyl-terminated poly(3-hexylthiophenese) (P3HTs). The pyridyl-functionalized P3HTs efficiently decorate CdSe semiconductor quantum dots (SQDs) and stabilize the morphology of CdSe/P3HT blends after thermal annealing. http://www.csm.ornl.gov/newsite/events.html#tmoselhy http://www.csm.ornl.gov/newsite/events.html#lluo http://www.csm.ornl.gov CSMD researcher Xiaoguang Zhang has been recognized as a Fellow of the American Physical Society for pioneering work in the development and application of the scattering theory and computational methods to materials studies, in particular to the study of electron transport in magnetic tunnel junctions. http://www.csm.ornl.gov/newsite/highlights.html#signatures_of ORNL researchers have developed a tractable model for simulating conductance histograms, which are a common form of reporting experimental data on electron transport processes in nanometer-scale systems (e.g. conductance through molecular wires). http://www.nature.com/nclimate/journal/vaop/ncurrent/full/nclimate1732.html CSMD researcher Moetasim Ashfaq's paper "Response of snow-dependent hydrologic extremes to continued global warming" has been published by Nature magazine's online presense Nature Climate Change. http://www.csm.ornl.gov/newsite/awards.html This paper provided breakthrough advances in the theory, modeling and simulation of nanoporous carbon-based supercapacitors. This work is the first demonstrated capability for the computer design and predictive simulation of high-capacity, cyclable, and versatile nanoporous supercapacitors for efficient and safe energy storage application. The papers has been cited on over 112 instances since 2008 and the journal publishers recognized its significance with a cover graphic. http://www.csm.ornl.gov/newsite/awards.html ADIOS provides a simple, flexible way for scientists to describe the data in their code that may need to be written, read, or processed outside of the running simulation. ADIOS routinely use over 300M core hours/year. Results that use the ADIOS framework have be published in over 80 computer science conferences/journals. http://www.csm.ornl.gov/newsite/awards.html AMORC is in use by many researchers and Ralf has personally supported the mesh refinement community by presenting extended tutorials at the Joint Institute for Computer Science and the 2010 Summer School on Multi-Resolution Methods, Frejus (France). The material from this summer school was also published in the European Series in Applied and Industrial Mathematics Proceedings. The code has been downloaded over 500 times. http://www.csm.ornl.gov/newsite/awards.html ForWarn is a satellite-based monitoring and assessment tool that recognizes and tracks potential forest disturbances caused by insects, diseases, wildfires, extreme weather, or other natural or human-caused events. It is deployed operationally with the USDA Forest Service. ForWarn is a partnership between ORNL, the USDA Forest Service, NASA's Stennis Space Center, and the U.S. Geological Survey's EROS Data Center and has been awarded the • 2012 Southern Research Station Director's Award for Excellence in Science Delivery and the • 2013 Federal Laboratory Consortium (FLC) for Technology Transfer Interagency Partnership Award The ORNL ForWarn team - comprised of Forrest Hoffman (ORNL PI), Jitendra "Jitu" Kumar, and Richard Tran Mills - contributed data mining methodologies for change detection to satellite remote sensing data.