Events at ORNL

Computational Modeling and Simulation at CSIRO

CSIRO, Australia’s national scientific industrial research laboratory, has had a rich and sustained history in computational modeling of complex industrial, environmental, and biophysical processes. The speaker will give an overview of CSIRO’s computational modeling capability. The capability is primarily particle-based, smoothed particle hydrodynamics (SPH) and discrete element method (DEM) being the main numerical methods.


  • Sharen Cummins, Commonwealth Scientific and Industrial Research Organization, Clayton, Australia

The Importance of Structure in 2D Perovskite-Based Optoelectronics

My talk will focus on our recent research on using 2D hybrid perovskites in opto-electronics. In previous work, we developed a solution-processed method to achieve single-crystalline thin films with preferential orientations. Such structures facilitate the photo-generated carriers to be collected during the operation of photovoltaic devices. We discovered that the carrier transport is closely related to the structure and the stacking of quantum wells.


  • Wanyi Nie, Los Alamos National Laboratory, Los Alamos, New Mexico

Magnetism in Itinerant Electron Systems: Insights from Soft X-ray Spectroscopies

Magnetism in itinerant electron systems is not synonymous of itinerant magnetism.  In fact, it can be much more complicated.  This is the case occurring when the electrons rooted in transport are also responsible for the formation of “local” spin moments, as in many 3d magnetic systems.  The presence of itinerant electrons and local moments calls for a paradigm capable of contemplating these seemingly incompatible aspects of the electronic structure.


  • Norman Mannella , The University of Tennessee, Knoxville

Recent Work with Corrosion-Resistant Coatings for Nuclear Waste Packages and Fusion Applications

The speaker will discuss two topics: (1) potentiodynamic polarization and brine circulation tests of coatings such as TiN, ZrO2, TiO2, Al2O3, and MoS2, which are attractive for improving certain materials properties of nuclear waste canisters, including improved radiation shielding, corrosion resistance, and hardness as well as decreased diffusivity; and (2) arc-discharge tests used as physical simulation of high-heat-flux events to determine surface effects of plasma-material interactions in fusion reactors.


  • John Echols, The University of Florida, Gainesville

Effects of Hydrogen Uptake and Yttrium on the Oxidation of Zirconium-Yttrium Alloys

Research has found that yttrium can be used to promote the formation of nodular zirconium hydride morphologies in nuclear fuel cladding due to its strong affinity for hydrogen. However, its effect on high-temperature steam oxidation is relatively unknown. Binary alloys of 0.01 to 1 wt % yttrium in zirconium were oxidized in both steam and oxygen/argon environments at temperatures ranging from 500°C to 1,100°C in a thermogravimetric system.


  • Peter Mouche, The University of Illinois, Urbana-Champaign

Mechano-Electrochemistry of Energy Storage Materials

A fundamental perception in the energy storage community is that mechanical processes accompanying electrochemical processes are an unavoidable by-product. However, the coupling between mechanics and electrochemistry termed “mechano-electrochemical coupling” is a powerful yet unexplored tool. Using principles of elastic strain engineering, we demonstrate controllable modulation of electrochemical parameters governing energy storage systems.


  • Nitin Muralidharan, Vanderbilt University, Nashville, Tennessee

Local Inhomogeneity in Iron-Based Superconductors

One major difference between the iron-based superconductors (FeSCs) and conventional superconductors is the necessary involvement of magnetic elements in FeSCs. For a long time, magnetic elements were thought to suppress superconductivity because of the competitive nature of superconductivity and magnetism, but the cuprates and now FeSCs apparently are magnetic in origin.


  • Zheng Gai, Center for Nanophase Materials Sciences

Where Separation, Decontamination, and Nuclear Medicine Meet

From potential contamination of individuals with radioactive fission products after a nuclear accident to the therapeutic use of radioisotopes for cancer diagnostics and treatment, the biological chemistry of actinides has become increasingly relevant to a number of applied problems.


  • Rebecca Abergel, Lawrence Berkeley National Laboratory, Berkeley, California

Quantum Annealing in the Frustrated Ising Magnet Ca3Co2O6

Quantum annealing computers have the potential to efficiently solve a wide range of computational optimization problems, but they will need to grow from 2,000 qubits to billions or trillions of qubits to tackle real-world problems. New and unexpected phenomena can arise in such large-scale quantum systems. We aim to anticipate these problems by studying quantum annealing in single crystals of Ca3Co2O6.


  • Xiaxin Ding, Los Alamos National Laboratory, Los Alamos, New Mexico

NuScale Power: Changing the Face of Nuclear Energy

Interest in smaller nuclear power plants has been growing steadily worldwide and is now emerging rapidly in the United States. NuScale Power is developing a small modular reactor design that will offer a more affordable approach to commercial nuclear power and will provide more utility to a broad range of energy customers. Based on a highly robust 50 MWe nuclear module, a NuScale plant will be scalable to up to 12 modules, each of which is fabricated in a factory and can be installed incrementally to maximize affordability and owner flexibility.


  • Dan Ingersoll, NuScale Power, LLC, Portland, Oregon