FRI September 27
Friday, September 27, 2019 - Workshops
- CryoEM of Macromolecular Machines
- Current and Future Opportunities in Time-Resolved X-ray Science: Materials and Interface
- Recent Advances in the X-ray Spectroscopy of the Actinides (PM)
- Development and Challenges in X-ray Spectroscopies and Ultrafast Dynamics: Experiment and Theory (AM)
- Data-Reduction Pipeline for LCLS-II (PM)
CryoEM is a tool which can determine true atomic resolution structure without using a crystal. CryoEM can also provide multiple structure snapshots of molecular machines from a single specimen with sophisticated data processing scheme. The speakers will be selected from our cryoEM users at SLAC. Most of these structures are determined between 2.5 and 3.0 Å resolution.
- Location: Berryessa Conference Room, Building 053/Room 2002
- Organizer: Wah Chiu (Stanford/SLAC)
- Invited Speakers & Program Details:
· 8:30 am Junjie Zhang, Texas A&M University
· 9:00 am Whitney Yin, University of Texas Medical Branch
· 9:30 am Derek Taylor, Case Western University
· 10:00 am Coffee break
· 10:30 am Marc Morais, University of Texas Medical Branch
· 11:00 am Jason Mears, Case Western University
· 11:30 am Soung-Hun Roh, Seoul National University
· 12:00 pm Lunch Break
This workshop will begin with a combined plenary session, with parallel breakout sessions focused on Materials Phenomena and Ultrafast Electron and Molecular Dynamics at Interfaces.
- Locations: Joint Session - Panofsky Auditorium Building 053/Room 1320; Parallel Sessions - Panofsky Auditorium 053/1320 & Trinity Conference Rooms 053/1350
- Organizers: Mike Kozina (Stanford/SLAC), Aaron Lindenberg (Stanford/SLAC), Apurva Mehta (SLAC/SSRL), Tony Heinz (SLAC), Anders Nilsson (Stockholm University), Hirohito Ogasawara (SLAC/SSRL)
- Materials Phenomena: We want to discuss expanding the scope of time-resolved experiments at SSRL through attracting new users with current capabilities as well as inform future instrument development via cutting-edge science cases (e.g. what new experiments are enabled by a microfocused beam, more flux, faster detectors, etc). Specifically we have in mind a variety of excitation techniques (including ultrafast optical, electrical, magnetic field, RF) and systems of interest (2D materials, nanoscale thermal transport, in situ device probes, ferroelectric domain manipulation, battery cycling, materials breakdown).
- Invited Speakers:
- Paul McIntyre, Stanford/SLAC/SSRL
- Eric Pop, Stanford
- Roopali Kukreja, U California Davis
- Haidan Wen, ANL
- Diling Zhu, SLAC
- Diana Gamzina, SLAC
- Ultrafast Electron and Molecular Dynamics at Interfaces: Dynamics at surfaces and interfaces is crucial for a wide variety of important physical phenomena, from solar energy conversion to heterogeneous catalysis. In particular, the ultrafast dynamics of electrons and of atoms and molecules define basic processes such as charge transfer and chemical transformation at the transition state that underlie energy storage and heterogeneous catalysis. Consequently, visualizing and tracking such processes in real time is a major, if challenging, scientific frontier. The emergence of ultrafast x-ray lasers has enabled x-ray spectroscopy and scattering on timescales down to femtoseconds making possible the direct observation of the elementary steps in these processes of charge transfer and chemical transformation. This workshop seeks to bring the community together to discuss current experimental and theoretical advances, as well as to consider the new possibilities afforded by the latest advances in x-ray laser and synchrotron capabilities.
- Invited Speakers:
- Oliver Gessner, LBNL
- Walter Drisdell, LBNL
- Robert Baker, Ohio State U
- Soonnam Kwon, Postech/PAL XFEL
- Thomas Allison, Stony Brook U
|Time||Title of Talk||Speaker||Institution|
|9:00AM||Introduction||Paul McIntyre||SLAC, Stanford|
|9:20AM||Following chemical reactions in real time using x-ray free-electron lasers and DFT||Lars Pettersson||Stockholm University, Sweden|
|9:50AM||Electron, phonon, and interfacial transport in 2D materials and heterostructures||Eric Pop||Stanford|
|10:45AM||Towards a femtosecond x-ray nanoprobe: hard x-ray pump-probe in the LCLS-II era||Diling Zhu||SLAC|
|11:15AM||The LCLS Detector Development Program||Mark McKelvey||SLAC|
|11:45AM||Following ultrafast surface dynamics and reactions using x-ray free electron lasers||Tony Heinz||SLAC, Stanford|
|Time||Speaker/Institution/Title of Talk||Time||Speaker/Institution/Title of Talk|
|1:00 PM||Jerry LaRue (Chapman U): Probing carbon monoxide reaction dynamics on metal surfaces||1:00 PM||Roopali Kukreja (UC Davis): Manipulation of photo-induced strain in ferroelectric devices|
|1:30 PM||Georgi Dakovski (SLAC): NEH2.2 Overview and Capabilities||1:30 PM||Clara Nyby (Stanford): Ultrafast probes of thermal transport in 2d materials|
|2:00 PM||Robert Baker (Ohio State U): Observing Ultrafast Charge and Spin Dynamics at Catalytic Interfaces.||2:00 PM||Haidan Wen (ANL): Time-resolved x-ray diffraction microscopy for materials science|
|2:30 PM||Walter Drisdell (LBNL/JCAP): Soft X-ray Second Harmonic Generation Spectroscopy of Interfaces||2:30 PM||Break|
|3:00 PM||Break||3:00 PM||Diana Gamzina/Paul Wilander (SLAC): opper reconsidered: material innovations to transform vacuum electronics|
|3:15 PM||Thomas Allison (Stony Brook U): Time-resolved ARPES at 80 MHz repetition rate with full 2π electron collection||3:30 PM||Liang Tan (LBNL): Dynamical simulations of non-perturbative, non-equilibrium materials phenomena|
|3:45 PM||Oliver Gessner (LBNL): Ultrafast X-ray Studies of Interfacial Energy- and Charge-Transfer Dynamics||4:00 PM||Open Discussion/flash talks|
|4:15 PM||Soonnam Kwon (Postech/PAL XFEL): PAL-XFEL soft x-ray instruments as a tool for the time-resolved x-ray science|
|4:45 PM||Open Discussion/flash talks|
- Location: Kavi Auditorium
- Organizers: Dimosthenis Sokaras (SLAC/SSRL), James G. Tobin, (U Wisconsin - Oshkosh)
- In a world of ever increasing population and diminishing resources, the need for abundant and inexpensive energy remains critical.  Despite the problems associated with radioactive contamination/disposal and nuclear proliferation, electricity generated by nuclear power remains immensely important,  providing for 20% of the electrical grid of the USA and 50% or more for several European nations. [3-6] Uranium Dioxide (UO2) is by far the widely used nuclear fuel for the generation of electricity.  Thus, a fundamental understanding of the electronic structure of UO2 and other actinides is crucial, if only to provide the best theoretical models for their disposal and storage. [7, 8]
Presentations on any recent advancement in Actinide X-ray Spectroscopy are welcome, including sample synthesis, novel synchrotron experiments, and improvements in theory and simulation. One aspect of this workshop will focus upon the most recent developments in advancements of beamline and spectrometer design to allow tremendous increases in resolution in various forms of x-ray spectroscopy. (See Figure to right.) The techniques to be discussed will include Resonant Inelastic x-ray scattering (RIXS), High Energy Resolution Fluorescence Detection (HERFD) and Resonant X-ray Emission Spectroscopy (RXES).
1. “Reasons for increase in demand for energy,” BBC News, https://www.bbc.com/bitesize/guides/zpmmmp3/revision/1
2. Y. Guerin, G.S. Was, S.J. Zinkle, MRS Bull. 34, 10 (2009).
3. Nuclear Energy Institute, Nuclear shares of electricity generation, http://www.world-nuclear.org/info/nshare.html
4. Eleanor Beardsley, France presses ahead with nuclear power, Nat’l Pub. Radio, http://www.npr.org/templates/story/story.php?storyId=5369610
5. Nuclear energy, Environmental Protection Agency, USA, http://www.epa.gov/cleanenergy/energy-and-you/affect/nuclear.html
6. Energy, electricity, and nuclear power: developments and projections-25 years past and future, International Atomic Energy Agency, Vienna, 2007,www-ub.iaea.org/mtcd/publications/pdf/pub1304
7. F. Gupta, A. Pasturel, G. Brillant, Phys. Rev. B 81, 014110(2010).
8. J.G. Tobin and S.-W. Yu, Phys. Rev. Lett, 107, 167406 (2011).
|1:00 PM||High energy resolution X-ray absorption and emission spectroscopy – Advanced tools for structural studies of actinide materials||Tonya Vitova||Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal|
|1:30 PM||Recent SSRL advances in high resolution x-ray spectroscopy for actinides studies||Dimosthenis Sokaras||SLAC/SSRL|
|2:00 PM||Separate measurement of the 5f5/2 and 5f7/2 unoccupied density of states of UO2||James G. Tobin||U Wisconsin - Oshkosh|
|2:30 PM||Break (group photo to be arranged)|
|3:00 PM||Plutonium phases in Hanford-derived wastes||Edgar Buck||Pacific Northwest National Lab|
|3:30 PM||Actinide X-ray Spectroscopy: A Materials Science Perspective||Dan Olive||Los Alamos National Lab|
|4:00 PM||Probing uranium 5f covalency using a portable tender x-ray spectrometer||Alex Ditter||U Washington & Los Alamos National Lab|
|4:30 PM||Roundtable Discussion: How can the new SSRL capabilities help solve the issues being addressed by DOE, DOE National Laboratories and the United States scientific community?|
|4:45 PM||Workshop Wrap-Up||D Sokaras and JG Tobin|
This workshop will link theory and experiment in x-ray spectroscopy measurements and ultrafast dynamics. The goals for the workshop is to bring together researchers in the field, both in experiment and theory, to discuss challenges and to identify research projects for possible collaboration. The workshop will consist of invited talks in experiment and theory. In addition, we will also leverage the poster session to highlight work from students and postdocs.
- Location: Kavi Auditorium
- Lead Organizer: Niri Govind (Pacific Northwest National Laboratory),John J Rehr (U Washington)
- Organizers: Kelly Gaffney (SLAC), Fernando Vila (U Washington), Sotiris Xantheas (PNNL)
- Abstract:The past 50 years have seen the development of increasingly detailed time-resolved experimental and theoretical methods that have expanded our understanding of fundamental physical and chemical processes. With the recent development of XFEL sources, we now have the ability to focus on the electronic and nuclear dynamics in molecules and condensed matter on their intrinsic space and time scales. For example, ultrafast optical and x-ray lasers can explore processes in the sub-picosecond timescale, with the ultimate goal of probing the electron and nuclear dynamics of how bonds break and reform. Given the complexity of the systems and conditions explored, these new experimental techniques have revealed many challenges and limitations in the theoretical and simulation areas. In light of this, the aim of this workshop is to bring together researchers at the forefront of theory and experiment for ultrafast x-ray spectroscopy measurements, connecting experimental and theoretical scientists to identify key projects for development, as well as link theory of spectroscopy with quantum dynamics simulations.
The workshop's aim to have talks and discussions on how to reduce data volume by a factor of 10 in real-time, while not affecting the physics results.
- Location: Berryessa Conference Room, Building 053/Room 2002
- Organizers: Jana Thayer (SLAC/LCLS), Chris O'Grady (SLAC/LCLS)
- Abstract: It is too costly to persist all of the LCLS-II data volume (~200GB/s) to disk. To reduce costs, we will reduce the data size in real-time by ~10x. We are working to develop infrastructure, tools and algorithms to achieve this reduction. To ensure that the physics is not affected by this, it is important to work together with the users. This workshop will discuss the status of the effort, and solicit input for improvements.