Five U.S. light sources form data solution task force

New collaboration between scientists at the five U.S. Department of Energy light source facilities will develop flexible software to easily process big data.

Light source facilities are tackling some of today’s biggest scientific challenges, from designing new quantum materials to revealing protein structures. But as these facilities continue to become more technologically advanced, processing the wealth of data they produce has become a challenge of its own. By 2028, the five U.S. Department of Energy (DOE) Office of Science light sources, will produce data at the exabyte scale, or on the order of billions of gigabytes, each year. Now, scientists have come together to develop synergistic software to solve that challenge.
With funding from DOE for a two-year pilot program, scientists from the five light sources have formed a Data Solution Task Force that will demonstrate, build, and implement software, cyberinfrastructure, and algorithms that address universal needs between all five facilities. These needs range from real-time data analysis capabilities to data storage and archival resources.
“It is exciting to see the progress that is being made by all the light sources working together to produce solutions that will be deployed across the whole DOE complex,” said Stuart Campbell, leader of the data acquisition, management and analysis group at the National Synchrotron Light Source II (NSLS-II), a DOE Office of Science user facility at DOE’s Brookhaven National Laboratory.

>Read more on the NSLS-II at Brookhaven National Lab

>Explore the other member facilities of the task force and read about their latest science news: Advanced Light Source (ALS), Advanced Photon Source (APS), Stanford Synchrotron Radiation Lightsource (SSRL), Linac Coherent Light Source (LCLS).

Image: Members of the task force met at NSLS-II for a project kickoff meeting in August of 2019.

Cathode ‘defects’ improve battery performance

A counterintuitive finding revealed by high-precision powder diffraction analyses suggests a new strategy for building better batteries

UPTON, NY—Engineers strive to design smartphones with longer-lasting batteries, electric vehicles that can drive for hundreds of miles on a single charge, and a reliable power grid that can store renewable energy for future use. Each of these technologies is within reach—that is, if scientists can build better cathode materials.

To date, the typical strategy for enhancing cathode materials has been to alter their chemical composition. But now, chemists at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have made a new finding about battery performance that points to a different strategy for optimizing cathode materials. Their research, published in Chemistry of Materials and featured in ACS Editors’ Choice, focuses on controlling the amount of structural defects in the cathode material.

“Instead of changing the chemical composition of the cathode, we can alter the arrangement of its atoms,” said corresponding author Peter Khalifah, a chemist at Brookhaven Lab and Stony Brook University.

>Read more on the NSLS-II at Brookhaven Lab website

Image: Corresponding author Peter Khalifah (left) with his students/co-authors Gerard Mattei (center) and Zhuo Li (right) at one of Brookhaven’s chemistry labs.

NSLS-II achieves design beam current of 500 milliamperes

Accelerator division enables new record current during studies.

The National Synchrotron Light Source II (NSLS-II) at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory is a gigantic x-ray microscope that allows scientists to study the inner structure of all kinds of material and devices in real time under realistic operating conditions. The scientists using the machine are seeking answers to questions including how can we built longer lasting batteries; when life started on our planet; and what kinds of new materials can be used in quantum computers, along with many other questions in a wide variety of research fields.

The heart of the facility is a particle accelerator that circulates electrons at nearly the speed of light around the roughly half-a-mile-long ring. Steered by special magnets within the ring, the electrons generate ultrabright x-rays that enable scientists to address the broad spectrum of research at NSLS-II.

Now, the accelerator division at NSLS-II has reached a new milestone for machine performance. During recent accelerator studies, the team has been able to ramp up the machine to 500 milliamperes (mA) of current and to keep this current stable for more than six hours. Similar to a current in a river, the current in an accelerator is a measure of the number of electrons that circulate the ring at any given time. In NSLS-II’s case, a higher electron current opens the pathway to more intense x-rays for all the experiments happening at the facility.

>Read more on the NSLS-II at Brookhaven Lab website

Image: The NSLS-II accelerator division proudly gathered to celebrate their recent achievement. The screen above them shows the slow increase of the electron current in the NSLS-II storage ring and its stability.

NSLS-II celebrates its 5th anniversary

In just five years, 28 beamlines came online, over 1,800 different experiments ran, and nearly 3,000 scientists conducted research at the National Synchrotron Light Source II.

On this day five years ago, the National Synchrotron Light Source II (NSLS-II) achieved “first light”—its first successful delivery of x-ray beams. Signaling the start of operations at NSLS-II—one of the world’s most advanced synchrotron light sources—Oct. 23, 2014 marked a new era of synchrotron science.

“It is astonishing to me how much we have accomplished in just five years,” said NSLS-II Director John Hill. “Every day when I come to work, I am proud of what we have achieved through the expertise, dedication and passion that everyone here brings to NSLS-II.”

>Read more on the NSLS-II at Brookhaven Lab website

Image: An aerial view of NSLS-II. The facility is large enough to fit Yankee Stadium inside its half-mile-long ring.

 

NSLS-II scientist named DOE Office of Science Distinguished Fellow

Scientists from the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have garnered two out of five “Distinguished Scientists Fellow” awards announced today by the DOE’s Office of Science.

Theoretical physicist Sally Dawson, a world-leader in calculations aimed at describing the properties of the Higgs boson, and José Rodriguez, a renowned chemist exploring and developing catalysts for energy-related reactions, will each receive $1 million in funding over three years to pursue new research objectives within their respective fields. (…)

José Rodriguez (NSLS-II)

For discoveries of the atomic basis of surface catalysis for the synthesis of sustainable fuels, and for significantly advancing in-situ methods of investigation using synchrotron light sources.”

Rodriguez will devote his funding to the development and construction of new tools for performing extremely rapid, time-resolved measurements to track the reaction mechanisms of catalytic processes as they occur under variable conditions—like those encountered during real-world reactions important to energy applications. These include processes on metal-oxide catalysts frequently used in the production of clean fuels and other “green” chemicals through hydrogenation of carbon monoxide and carbon dioxide, or the conversion of methane to hydrogen.

“At a microscopic level, the structure of a catalyst and the chemical environment around the active sites—where chemical bonds are broken and reformed as reactants transform into new products—change as a function of time, thus determining the reaction mechanism,” said Rodriguez. “We can learn a lot about the nature of the active sites under steady-state conditions, with no variations in temperature, pressure, and reaction rate. But to really understand the details of the reaction mechanism, we need ways to track what happens under transient or variable conditions. This funding will allow us to build new instrumentation that works with existing capabilities so we can study catalysts under variable conditions—and use what we learn to improve their performance.”

>Read more on the NSLS-II website

Smarter experiments for faster materials discovery

Scientists created a new AI algorithm for making measurement decisions; autonomous approach could revolutionize scientific experiments.

A team of scientists from the U.S. Department of Energy’s Brookhaven National Laboratory and Lawrence Berkeley National Laboratory designed, created, and successfully tested a new algorithm to make smarter scientific measurement decisions. The algorithm, a form of artificial intelligence (AI), can make autonomous decisions to define and perform the next step of an experiment. The team described the capabilities and flexibility of their new measurement tool in a paper published on August 14, 2019 in Nature Scientific Reports.

From Galileo and Newton to the recent discovery of gravitational waves, performing scientific experiments to understand the world around us has been the driving force of our technological advancement for hundreds of years. Improving the way researchers do their experiments can have tremendous impact on how quickly those experiments yield applicable results for new technologies.

>Read more on the NSLS-II at Brookhaven Lab website.

Image: (From left to right) Kevin Yager, Masafumi Fukuto, and Ruipeng Li prepared the Complex Materials Scattering (CMS) beamline at NSLS-II for a measurement using the new decision-making algorithm, which was developed by Marcus Noack (not pictured).

Enhancing Materials for Hi-Res Patterning to Advance Microelectronics

Scientists at Brookhaven Lab’s Center for Functional Nanomaterials created “hybrid” organic-inorganic materials for transferring ultrasmall, high-aspect-ratio features into silicon for next-generation electronic devices.

To increase the processing speed and reduce the power consumption of electronic devices, the microelectronics industry continues to push for smaller and smaller feature sizes. Transistors in today’s cell phones are typically 10 nanometers (nm) across—equivalent to about 50 silicon atoms wide—or smaller. Scaling transistors down below these dimensions with higher accuracy requires advanced materials for lithography—the primary technique for printing electrical circuit elements on silicon wafers to manufacture electronic chips. One challenge is developing robust “resists,” or materials that are used as templates for transferring circuit patterns into device-useful substrates such as silicon.

>Read more on the NSLS-II at Brookhaven Lab website

Image: (Left to right) Ashwanth Subramanian, Ming Lu, Kim Kisslinger, Chang-Yong Nam, and Nikhil Tiwale in the Electron Microscopy Facility at Brookhaven Lab’s Center for Functional Nanomaterials. The scientists used scanning electron microscopes to image high-resolution, high-aspect-ratio silicon nanostructures they etched using a “hybrid” organic-inorganic resist.

Brookhaven Lab and University of Delaware begin joint initiative

Through this partnership, scientists from both institutions will conduct collaborative research on rice soil chemistry and quantum materials.

The U.S. Department of Energy’s (DOE) Brookhaven National Laboratory and the University of Delaware (UD) have begun a two-year joint initiative to promote collaborative research in new areas of complementary strength and strategic importance. Though Brookhaven Lab and UD already have a tradition of collaboration, especially in catalysis, this initiative encourages partnerships in strategic areas where that tradition does not yet exist. After considering several potential areas, a committee from Brookhaven and UD selected two projects—one on rice soil chemistry and the other on quantum materials—for the new initiative. For each project, one graduate student based at Brookhaven and one graduate student from UD will work with and be supervised by a principal investigator from each respective institution. The research, to start in October 2019, is funded separately by the two institutions. Brookhaven funding is provided through its Laboratory-Directed Research and Development program, which promotes highly innovative and exploratory research that supports the Lab’s mission and areas for growth.

>Read more on the NSLS-II at Brookhaven Lab website

Image: Principal investigators from Brookhaven Lab and the University of Delaware (UD) will collaborate on two different research projects through a new joint initiative. Brookhaven’s Peter Johnson (left) and UD’s Stephanie Law (second from left) will measure the energy level spectrum of a topological insulator, a new type of material that behaves as an insulator internally but as a conductor on the surface; Brookhaven’s Ryan Tappero (second from the right) and UD’s Angelia Seyfferth (right) will study how toxic and nutrient metals are distributed in rice grain.

Creating ‘movies’ of thin film growth at NSLS-II

 

Coherent x-rays at NSLS-II enable researchers to produce more accurate observations of thin film growth in real time.

From paint on a wall to tinted car windows, thin films make up a wide variety of materials found in ordinary life. But thin films are also used to build some of today’s most important technologies, such as computer chips and solar cells. Seeking to improve the performance of these technologies, scientists are studying the mechanisms that drive molecules to uniformly stack together in layers—a process called crystalline thin film growth. Now, a new research technique could help scientists understand this growth process better than ever before.
Researchers from the University of Vermont, Boston University, and the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have demonstrated a new experimental capability for watching thin film growth in real-time. Using the National Synchrotron Light Source II (NSLS-II)—a DOE Office of Science User Facility at Brookhaven—the researchers were able to produce a “movie” of thin film growth that depicts the process more accurately than traditional techniques can. Their research was published on June 14, 2019 in Nature Communications.

>Read more on the NSLS-II website

Image: Co-authors Peco Myint (BU) and Jeffrey Ulbrandt (UVM) are shown at NSLS-II’s CHX beamline, where the research was conducted.

 

Scientists design organic cathode for high performance batteries

The new, sulfur-based material is more energy-dense, cost-effective, and environmentally friendly than traditional cathodes in lithium batteries.

Researchers at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have designed a new, organic cathode material for lithium batteries. With sulfur at its core, the material is more energy-dense, cost-effective, and environmentally friendly than traditional cathode materials in lithium batteries. The research was published in Advanced Energy Materials on April 10, 2019.

Optimizing cathode materials

From smartphones to electric vehicles, the technologies that have become central to everyday life run on lithium batteries. And as the demand for these products continues to rise, scientists are investigating how to optimize cathode materials to improve the overall performance of lithium battery systems.
“Commercialized lithium-ion batteries are used in small electronic devices; however, to accommodate long driving ranges for electric vehicles, their energy density needs to be higher,” said Zulipiya Shadike, a research associate in Brookhaven’s Chemistry Division and the lead author of the research. “We are trying to develop new battery systems with a high energy density and stable performance.”

>Read more on the NSLS-II website

Image: Lead author Zulipiya Shadike (right) is pictured at NSLS-II’s XPD beamline with lead beamline scientist and co-author Sanjit Ghose (left).

Nanoscale sculpturing leads to unusual packing of nanocubes

Cube-shaped nanoparticles with thick shells of DNA assemble into a never-before-seen 3-D “zigzag” pattern that breaks orientational symmetry; understanding such nanoscale behavior is key to engineering new materials with desired organizations and properties.

From the ancient pyramids to modern buildings, various three-dimensional (3-D) structures have been formed by packing shaped objects together. At the macroscale, the shape of objects is fixed and thus dictates how they can be arranged. For example, bricks attached by mortar retain their elongated rectangular shape. But at the nanoscale, the shape of objects can be modified to some extent when they are coated with organic molecules, such as polymers, surfactants (surface-active agents), and DNA. These molecules essentially create a “soft” shell around otherwise “hard,” or rigid, nano-objects. When the nano-objects pack together, their original shape may not be entirely preserved because the shell is flexible—a kind of nanoscale sculpturing.

Now, a team of scientists from the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory and Columbia Engineering has shown that cube-shaped nanoparticles, or nanocubes, coated with single-stranded DNA chains assemble into an unusual “zigzag” arrangement that has never been observed before at the nanoscale or macroscale. Their discovery is reported in the May 17 online issue of Science Advances.

>Read more on the NSLS-II website

Image: Brookhaven Lab scientists Fang Lu (sitting), (left to right, standing) Oleg Gang, Kevin Yager, and Yugang Zhang in an electron microscopy lab at the Center for Functional Nanomaterials. The scientists used electron microscopes to visualize the structure of nanocubes coated with DNA.

New approach for solving protein structures from tiny crystals

Technique opens door for studies of countless hard-to-crystallize proteins involved in health and disease

Using x-rays to reveal the atomic-scale 3-D structures of proteins has led to countless advances in understanding how these molecules work in bacteria, viruses, plants, and humans—and has guided the development of precision drugs to combat diseases such as cancer and AIDS. But many proteins can’t be grown into crystals large enough for their atomic arrangements to be deciphered. To tackle this challenge, scientists at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory and colleagues at Columbia University have developed a new approach for solving protein structures from tiny crystals.

The method relies on unique sample-handling, signal-extraction, and data-assembly approaches, and a beamline capable of focusing intense x-rays at Brookhaven’s National Synchrotron Light Source II (NSLS-II)—a DOE Office of Science user facility—to a millionth-of-a-meter spot, about one-fiftieth the width of a human hair.

>Read more on the NSLS-II at Brookhaven Lab website

Image: Wuxian Shi, Martin Fuchs, Sean McSweeney, Babak Andi, and Qun Liu at the FMX beamline at Brookhaven Lab’s National Synchrotron Light Source II, which was used to determine a protein structure from thousands of tiny crystals.

New lens system for brighter, sharper diffraction images

Researchers from Brookhaven Lab designed, implemented, and applied a new and improved focusing system for electron diffraction measurements.

To design and improve energy storage materials, smart devices, and many more technologies, researchers need to understand their hidden structure and chemistry. Advanced research techniques, such as ultra-fast electron diffraction imaging can reveal that information. Now, a group of researchers from the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have developed a new and improved version of electron diffraction at Brookhaven’s Accelerator Test Facility (ATF)—a DOE Office of Science User Facility that offers advanced and unique experimental instrumentation for studying particle acceleration to researchers from all around the world. The researchers published their findings in Scientific Reports, an open-access journal by Nature Research.
Advancing a research technique such as ultra-fast electron diffraction will help future generations of materials scientists to investigate materials and chemical reactions with new precision. Many interesting changes in materials happen extremely quickly and in small spaces, so improved research techniques are necessary to study them for future applications. This new and improved version of electron diffraction offers a stepping stone for improving various electron beam-related research techniques and existing instrumentation.

>Read more on the NSLS-II at Brookhaven Lab website

Image: Mikhail Fedurin, Timur Shaftan, Victor Smalyuk, Xi Yang, Junjie Li, Lewis Doom, Lihua Yu, and Yimei Zhu are the Brookhaven team of scientists that realized and demonstrated the new lens system for as ultra-fast electron diffraction imaging.

Catalyst renders nerve agents harmless

Scientists used a multimodal approach to understand how a catalyst decomposes nerve agents in real-life environments

A team of scientists including researchers at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory has studied a catalyst that decomposes nerve agents, eliminating their harmful and lethal effects. The research was published Friday, April 19, in the Journal of Physical Chemistry Letters.

“Our work is part of an ongoing, multiagency effort to protect soldiers and civilians from chemical warfare agents (CWAs),” said Anatoly Frenkel, a physicist with a joint appointment at Brookhaven Lab and Stony Brook University and the lead author on the paper. “The research requires us to understand molecular interactions on a very small scale, and to develop special characterization methods that are capable of observing those interactions. It is a very complex set of problems that also has a very immediate societal impact.”

>Read more on the National Synchrotron Light Source-II website

Image: Lead author Anatoly Frenkel is shown at NSLS-II’s X-ray Powder Diffraction beamline, where part of the research was conducted.

Illuminating Water Filtration

Researchers using ultrabright x-rays reveal the molecular structure of membranes used to purify seawater into drinking water.

For the first time, a team of researchers from Stony Brook University and the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory have revealed the molecular structure of membranes used in reverse osmosis. The research is reported in a recently published paper in ACS Macro Letters, a journal of the American Chemical Society (ACS).
Reverse osmosis is the leading method of converting brackish water or seawater into potable or drinking water, and it is used to make about 25,000 million gallons of fresh water a day globally according to the International Water Association.
“Most of the earth’s water is in the oceans and only three percent is fresh water, so water purification is an essential tool to satisfy the increasing demand for drinking water,” said Brookhaven Lab senior scientist Benjamin Ocko. “Reverse osmosis is not a new technology; however, the molecular structure of many of the very thin polymer films that serve as the barrier layer in reverse osmosis membranes, despite its importance, was not previously known.”

>Read more on the NSLS-II website

Image: Qinyi Fu, Francisco J. Medellin-Rodriguez, Nisha Verma, and Benjamin Ocko (from left to right) prepare to mount the membrane samples that mimic the membranes used in reverse osmosis for the measurements in the Complex Materials Scattering (CMS) beamline at the National Synchrotron Light Source II (NSLS-II).

Cause of cathode degradation identified for nickel-rich materials

Combination of research methods reveals causes of capacity fading, giving scientists better insight to design advanced batteries for electric vehicles

A team of scientists including researchers at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory and SLAC National Accelerator Laboratory have identified the causes of degradation in a cathode material for lithium-ion batteries, as well as possible remedies. Their findings, published on Mar. 7 in Advanced Functional Materials, could lead to the development of more affordable and better performing batteries for electric vehicles.

Searching for high-performance cathode materials
For electric vehicles to deliver the same reliability as gas vehicles they need lightweight yet powerful batteries. Lithium-ion batteries are the most common type of battery found in electric vehicles today, but their high cost and limited lifetimes are limitations to the widespread deployment of electric vehicles. To overcome these challenges, scientists at many of DOE’s national labs are researching ways to improve the traditional lithium-ion battery.

>Read more on the NSLS-II at Brookhaven Lab website

Image: Members of the Brookhaven team are shown at NSLS-II’s ISS beamline, where part of the research was conducted. Pictured from front to back are Eli Stavitski, Xiao-Qing Yang, Xuelong Wang, and Enyuan Hu.