Events at ORNL

Smart Computing over Physical Environments

The speaker will describe two ongoing, related projects by the Vanderbilt Initiative for Smart Cities Operations and Research in collaboration with the city of Nashville: (1) a project that provides optimal operation dispatch suggestions to first responders, in which the likelihood for an incident is learned and predicted by contextualizing the probability distributions with several spatial and temporal features, and (2) a project about smart transit systems, in which multiple real-time data streams are integrated to provide contextual analysis and prediction of transit performance.

Presenter

  • Abhishek Dubey, Vanderbilt University, Nashville, Tennessee

Implementation and Application of an Exact Diagonalization Method in Quantum Condensed Matter

The quantum many-body problem of solving Schrodinger equations of a large number of interacting microscopic particles is generally considered impossible to tackle analytically. Numerical simulations become the essential tools to study these systems, especially in the strongly correlated regime. As the only unbiased method, exact diagonalization converts the problem into the diagonalization of a large matrix by enumerating all the possible basis states. We present a generic, parallel implementation of exact diagonalization method in C++.

Presenter

  • Mengsu Chen, Virginia Polytechnic Institute and University , Blacksburg

Synthesis and Reactivity of Novel Dirhodium Complexes

Dirhodium (II) paddlewheel complexes are renowned for their ability as metal carbenoids to catalyze a number of transformations. One can control the degree of reactivity and selectivity of the transformation by judicious choice of ligand. General strategies for ligand design involve modification of bridging ligands; however, additives in these reactions have been observed to coordinate to the axial sites of the catalyst and, to an extent, affect the reactivity and selectivity of the catalyst.

Presenter

  • Ampofo Darko, The University to Tennessee, Knoxville

Liquid Extraction–Atmospheric Pressure Mass Spectrometry for Chemical Imaging and Rapid Molecular Analysis of Heterogenous Media

DOE Grand Challenge Science questions emphasize the critical need to understand and control matter at the electronic and molecular levels and thus enable new and efficient energy technologies. The speaker will highlight recent developments in liquid-extraction atmospheric pressure mass spectrometry technologies that have enabled submicrometer-resolution chemical imaging, rapid molecular profiling, and quantitative analysis in a wide range of heterogeneous media.

Presenter

  • Jack Cahill, Chemical Sciences Division Mass Spectrometry and Laser Spectroscopy Group

Scrum Approach in a National Lab Environment: Lessons Learned from an ORNL LDRD Scrum Project

Scrum is an organizational framework that can be applied to difficult projects to do twice the work in half the time. While the principles of Scrum are simple to understand, they are difficult to master. This presentation will address the unique challenges that are specific to applying this work method to R&D efforts in a national lab environment. Lessons learned from an ongoing ORNL Laboratory Directed Research and Development (LDRD) project that employed the Scrum approach also will be presented.

Presenter

  • Joe Justice, Scrum Inc., Cambridge, Massachusetts

Gravitational Quantum States of Neutrons, Atoms, and Antiatoms

Quantum gravitational spectroscopy with ultracold systems is an emerging field based on recent experimental and theoretical advances. Gravitational spectroscopy profits from exceptional sensitivity due to the extreme weakness of gravitation compared to other fundamental interactions; thus, it provides an access to the precision frontier in particle physics and other domains. Quantum gravitational spectroscopy is its ultimate limit addressing the most fragile and sensitive quantum states of ultracold particles and systems.

Presenter

  • Valeri Nesvizhevski, Institut Laue Langevin, Grenoble, France

The Power of Molecular Chemistry in Nanoscale Materials Research

The speaker will describe the synthesis, structures, and properties of ligands that can be applied in nanoscale materials research. Some of the products can be modified to suit various studies in solution and in the solid state (e.g., nuclear magnetic resonance spectroscopy). The speaker will discuss the study of single-molecule magnets, which have proven useful in researching phenomena that could not be reliably detected from the study of traditional nanoparticles (e.g., quantum tunneling of the magnetization vector, quantum superposition/entanglement states).

Presenter

  • George Christou, The University of Florida, Gainesville

Click or Treat

Click or Treat is an annual event at ORNL, culminating National Cybersecurity Awareness month activities. Costumed Information Technology Services Division staff provide the latest cybersecurity know-how, as attendees complete cybersecurity awareness fact-finding activities. This fun-filled event includes information, games, and giveaways for all who attend.

Presenter

  • Cybersecurity team, Information Technology Services Divsion

Next-Generation Multifunctional Carbon Fiber Composites

In this talk the speaker describes two approaches to fabricating fiber-reinforced composites with built-in capabilities for nondestructive evaluation. In the first approach, hydrothermal reactions are used to synthesize a ferroelectric film of barium titanate directly onto the fiber surface. The film offers passive sensing functionality by generating an electric charge in response to applied stress, so no external power inputs would be needed to evaluate the composite.

Presenter

  • Chris Bowland, Materials Science and Technology Division