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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging

Diffraction before destruction using X-ray free-electron lasers (XFELs) has the potential to determine radiation-damage-free structures without the need for crystallization. This article presents the three-dimensional reconstruction of the Melbournevirus from single-particle X-ray diffraction patterns collected at the LINAC Coherent Light Source (LCLS) as well as reconstructions from simulated data exploring the consequences of different kinds of experimental sources of noise. The reconstruction from experimental data suffers from a strong artifact in the center of the particle. This could be reproduced with simulated data by adding experimental background to the diffraction patterns. In those simulations, the relative density of the artifact increases linearly with background strength. This suggests that the artifact originates from the Fourier transform of the relatively flat background, concentrating all power in a central feature of limited extent. We support these findings by significantly reducing the artifact through background removal before the phase-retrieval step. Large amounts of blurring in the diffraction patterns were also found to introduce diffuse artifacts, which could easily be mistaken as biologically relevant features. Other sources of noise such as sample heterogeneity and variation of pulse energy did not significantly degrade the quality of the reconstructions. Larger data volumes, made possible by the recent inauguration of high repetition-rate XFELs, allow for increased signal-to-background ratio and provide a way to minimize these artifacts. The anticipated development of three-dimensional Fourier-volume-assembly algorithms which are background aware is an alternative and complementary solution, which maximizes the use of data.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

High-throughput imaging of heterogeneous cell organelles with an X-ray laser (CXIDB ID 25)

Preprocessed detector images that were used for the paper "High-throughput imaging of heterogeneous cell organelles with an X-ray laser". The CXI file contains the entire recorded data - including both hits and blanks. It also includes down-sampled images and LCLS machine parameters. Additionally, the Cheetah configuration file is attached that was used to create the pre-processed data.

AMO↗
DOE OSTI2015

Imaging single cells in a beam of live cyanobacteria with an X-ray laser (CXIDB ID 26)

This entry contains ten diffraction patterns, and reconstructions images, of individual living Cyanobium gracile cells, imaged using 517 eV X-rays from the LCLS XFEL. The Hawk software package was used for phasing. The Uppsala aerosol injector was used for sample injection, assuring very low noise levels. The cells come from various stages of the cell cycle, and were imaged in random orientations.

AMO↗
DOE OSTI2020

Ultrafast structural response to charge redistribution within a photosinthetic reaction centre

This data set contains stream files, difference maps and SVD maps obtained from data processing of time-resolved serial femtosecond crystallography measurements performed at LCLS XFEL, used to construct the images and perform the analysis published in the paper "Ultrafast structural response to charge redistribution within a photosinthetic reaction centre". Two (2) time points plus a dark state from 2015 ('a' label) as well as five (5) time points plus a dark state from 2016 ('b' label) are provided.

CXI↗
DOE OSTI2020

Mechanism and dynamics of fatty acid photodecarboxylase

The deposition contains diffraction patterns after hit-finding of time-resolved serial femtosecond crystallography measurements on fatty acid photodecarboxylase performed at LCLS XFEL (proposal ID: LT59). Five datasets are available. One dataset without pump laser excitation, labeled as "dark" and four time-resolved datasets with pump laser excitation at four different time-points labeled as "20 ps", "900 ps", "300 ns" and "2 μs". Please check the publication for more information about the datasets.

CXI↗
DOE OSTI2023

An Extensible High Energy Density Modeling Tool for Extreme Regimes

The overreaching goal of the project is to develop a simulation capability to model an entire High Energy Density (HED) target heated by an X-ray Free Electron Laser (XFEL) beam including the surrounding material with a focus on target material associated with subsequent shots. Our primary objective is to study target fratricide problems, where radiation/debris from the current shot degrade the target for subsequent shots. This work will have a large impact on research being conducted at HED facilities where the quality of data is directly related to the effective repetition rate of the driver, which is often limited by target fratricide problems. This project focuses on a stream of closely spaced droplet targets that are appropriate for new very high repetition rate sources such as the ~1 MHz LCLS-II upgraded XFEL. The capability of the PISALE (Pacific Island Structured-AMR with ALE) code is extended to model this class of problems. We summarize the capability and improvements made to the HED branch of the PISALE code. We discuss our simulations of target fratricide for small (5 micron) hydrogen droplets heated by an XFEL beam at SLAC. We also compare simulations of the initial dynamics of larger (50 micron) water droplets, heated by the same XFEL beam, with experimental data. We briefly discuss training, dissemination, and related activities associated with this project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

FPGA-accelerated SpeckleNN with SNL for real-time X-ray single-particle imaging

We present the implementation of a specialized version of our previously published unified embedding model, SpeckleNN, for real-time speckle pattern classification in X-ray Single-Particle Imaging (SPI), using the SLAC Neural Network Library (SNL) on an FPGA platform. This hardware realization transitions SpeckleNN from a prototypic model into a practical edge solution, optimized for running inference near the detector in high-throughput X-ray free-electron laser (XFEL) facilities, such as those found at the Linac Coherent Light Source (LCLS). To address the resource constraints inherent in FPGAs, we developed a more specialized version of SpeckleNN. The original model, which was designed for broader classification across multiple biological samples, comprised ~5.6 million parameters. The new implementation, while reducing the parameter count to 64.6K (a 98.8% reduction), focuses on maintaining the model's essential functionality for real-time operation, achieving an accuracy of 90%. Furthermore, we compressed the latent space from 128 to 50 dimensions. This implementation was demonstrated on the KCU1500 FPGA board, utilizing 71% of available DSPs, 75% of LUTs, and 48% of FFs, with an average power consumption of 9.4W according to the Vivado post-implementation report. The FPGA performed inference on a single image with a latency of 45.015 microseconds at a 200 MHz clock rate. In comparison, running the same inference on an NVIDIA A100 GPU resulted in an average power consumption of ~73W and an image processing latency of around 400 microseconds. Our FPGA-accelerated version of SpeckleNN demonstrated significant improvements, achieving an 8.9 × speedup and a 7.8 × reduction in power consumption compared to the GPU implementation. Key advancements include model specialization and dynamic weight loading through SNL, which eliminates the need for time-consuming FPGA design re-synthesis, allowing fast and continuous deployment of models (re)trained online. These innovations enable real-time adaptive classification and efficient vetoing of speckle patterns, making SpeckleNN more suited for deployment in XFEL facilities. This implementation has the potential to significantly accelerate SPI experiments and enhance adaptability to evolving experimental conditions.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

X-ray Free Electron Laser Determination of Crystal Structures of Dark and Light States of a Reversibly Photoswitching Fluorescent Protein at Room Temperature

The photochromic fluorescent protein Skylan-NS (Nonlinear Structured illumination variant mEos3.1H62L) is a reversibly photoswitchable fluorescent protein which has an unilluminated/ground state with an anionic and cis chromophore conformation and high fluorescence quantum yield. Photo-conversion with illumination at 515 nm generates a meta-stable intermediate with neutral trans-chromophore structure that has a 4 h lifetime. We present X-ray crystal structures of the cis (on) state at 1.9 Angstrom resolution and the trans (off) state at a limiting resolution of 1.55 Angstrom from serial femtosecond crystallography experiments conducted at SPring-8 Angstrom Compact Free Electron Laser (SACLA) at 7.0 keV and 10.5 keV, and at Linac Coherent Light Source (LCLS) at 9.5 keV. We present a comparison of the data reduction and structure determination statistics for the two facilities which differ in flux, beam characteristics and detector technologies. Furthermore, a comparison of droplet on demand, grease injection and Gas Dynamic Virtual Nozzle (GDVN) injection shows no significant differences in limiting resolution. The photoconversion of the on- to the off-state includes both internal and surface exposed protein structural changes, occurring in regions that lack crystal contacts in the orthorhombic crystal form.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Linac Coherent Light Source Overview

Take an animated tour of the Linac Coherent Light Source (LCLS). Follow the laser pulse from the injector gun all the way through to the Far Experimental Hall.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Breakthrough: X-ray Laser Captures Atoms and Molecules in Action

The Linac Coherent Light Source at SLAC is the world's most powerful X-ray laser. Just two years after turning on in 2009, breakthrough science is emerging from the LCLS at a rapid pace. A recent experiment used the X-rays to create and probe a 2-million-degree piece of matter in a controlled way for the first time-a significant leap toward understanding the extreme conditions found in the hearts of stars and giant planets, and a finding which could further guide research into nuclear fusion, the mechanism that powers the sun. Upcoming experiments will investigate the fundamental, atomic-scale processes behind such phenomena as superconductivity and magnetism, as well as peering into the molecular workings of photosynthesis in plants.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

SLAC All Access: Laser Labs

From supermarket checkouts to video game consoles, lasers are ubiquitous in our lives. Here at SLAC, high-power lasers are critical to the cutting-edge research conducted at the laboratory. But, despite what you might imagine, SLAC's research lasers bear little resemblance to the blasters and phasers of science fiction. In this edition of All Access we put on our safety goggles for a peek at what goes on inside some of SLAC's many laser labs. LCLS staff scientist Mike Minitti and SLAC laser safety officer Mike Woods detail how these lasers are used to study the behavior of subatomic particles, broaden our understanding of cosmic rays and even unlock the mysteries of photosynthesis.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Turning on LAMP

Christoph Bostedt, a senior staff scientist at SLAC's Linac Coherent Light Source X-ray laser, provides a sneak peek of a powerful new instrument, called LAMP, that is now available for experiments that probe the atomic and molecular realm. LAMP replaces and updates the first instrument at LCLS, dubbed CAMP, which will be installed at an X-ray laser in Germany.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Claudio Pellegrini and the World’s First Hard X-ray Free-Electron Laser

President Obama welcomed SLAC's Claudio Pellegrini inside the Oval Office on Tuesday morning as a recipient of the Enrico Fermi Award, one of the highest honors the U.S. government can give to a scientist. Pellegrini, a visiting scientist and consulting professor at SLAC and distinguished professor emeritus at the University of California, Los Angeles, received the award for research that aided in the development of X-ray free-electron lasers (XFELs) including SLAC's Linac Coherent Light Source (LCLS), a DOE Office of Science User Facility that started up in 2009. Here, Pellegrini describes his efforts that contributed to the realization of SLAC’s Linac Coherent Light Source, the world’s first hard X-ray free-electron laser.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

X-ray Laser Animated Fly-Through

Take a tour with an electron's-eye-view through SLAC's revolutionary new X-ray laser facility with this 5 1/2 minute animation. See how the X-ray pulses are generated using the world's longest linear accelerator along with unique arrays of machinery specially designed for this one-of-a-kind tool. For more than 40 years, SLAC's two-mile-long linear accelerator (or linac) linac has produced high-energy electrons for cutting-edge physics experiments. Now, SLAC's linac has entered a new phase of its career with the creation of the Linac Coherent Light Source (LCLS).

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

New Snapshots of Photosynthesis Captured by SLAC’s X-ray Laser

The machinery responsible for photosynthesis – while commonplace and essential to life on Earth – is still not fully understood. One of its molecular mysteries involves how a protein complex, photosystem II, harvests energy from light and uses it to split water into hydrogen and oxygen. The process generates the oxygen in the air that we breathe. New X-ray methods at the Department of Energy’s SLAC National Accelerator Laboratory have captured the first detailed image of this protein complex at room temperature, which allows scientists to closely watch how water is split during photosynthesis at the temperature at which it occurs naturally. The research team took the images using the bright, fast pulses of light at SLAC’s X-ray free-electron laser – the Linac Coherent Light Source (LCLS), a DOE Office of Science User Facility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Untersuchung unabhängiger N‐H‐ und N‐C‐Bindungsverformungen auf ultrakurzen Zeitskalen mit resonanter inelastischer Röntgenstreuung

Abstract Die Femtosekundendynamik nach resonanten Photoanregungen mit optischen und Röntgenpulsen ermöglicht eine selektive Verformung von chemischen N‐H‐ und N‐C‐Bindungen in 2‐Thiopyridon in wässriger Lösung. Die Untersuchung der orbitalspezifischen elektronischen Struktur und ihrer Dynamik auf ultrakurzen Zeitskalen mit resonanter inelastischer Röntgenstreuung an der N1s‐Resonanz am Synchrotron und dem Freie‐Elektronen‐Laser LCLS in Kombination mit quantenchemischen Multikonfigurationsberechnungen erbringen den direkten Nachweis dieser kontrollierten photoinduzierten Molekülverformungen und ihrer ultrakurzen Zeitskala.

Eckert, Sebastian↗