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Chemists ID Catalytic 'Key' for Converting CO2 to Methanol

Results from experiments and computational modeling studies that definitively identify the "active site" of a catalyst commonly used for making methanol from CO2 will guide the design of improved catalysts for transforming this pollutant to useful chemicals.

Cryo-Electron Microscopy Achieves Unprecedented Resolution Using New Computational Methods

Cryo-electron microscopy (cryo-EM)--which enables the visualization of viruses, proteins, and other biological structures at the molecular level--is a critical tool used to advance biochemical knowledge. Now Berkeley Lab researchers have extended cryo-EM's impact further by developing a new computational algorithm instrumental in constructing a 3-D atomic-scale model of bacteriophage P22 for the first time.

New Study Maps Space Dust in 3-D

A new Berkeley Lab-led study provides detailed 3-D views of space dust in the Milky Way, which could help us understand the properties of this dust and how it affects views of distant objects.

Single-Angle Ptychography Allows 3D Imaging of Stressed Materials

Scientists have used a new X-ray diffraction technique called Bragg single-angle ptychography to get a clear picture of how planes of atoms shift and squeeze under stress.

New Feedback System Could Allow Greater Control Over Fusion Plasma

A physicist has created a new system that will let scientists control the energy and rotation of plasma in real time in a doughnut-shaped machine known as a tokamak.

Towards Super-Efficient, Ultra-Thin Silicon Solar Cells

Researchers from Ames Laboratory used supercomputers at NERSC to evaluate a novel approach for creating more energy-efficient ultra-thin crystalline silicon solar cells by optimizing nanophotonic light trapping.

Study IDs Link Between Sugar Signaling and Regulation of Oil Production in Plants

UPTON, NY--Even plants have to live on an energy budget. While they're known for converting solar energy into chemical energy in the form of sugars, plants have sophisticated biochemical mechanisms for regulating how they spend that energy. Making oils costs a lot. By exploring the details of this delicate energy balance, a group of scientists from the U.

High-Energy Electrons Probe Ultrafast Atomic Motion

A new technique synchronized high-energy electrons with an ultrafast laser pulse to probe how vibrational states of atoms change in time.

Rare Earth Recycling

A new energy-efficient separation of rare earth elements could provide a new domestic source of critical materials.

Two-Dimensional MXene Materials Get Their Close-Up

Researchers have long sought electrically conductive materials for economical energy-storage devices. Two-dimensional (2D) ceramics called MXenes are contenders.


Three SLAC Employees Awarded Lab's Highest Honor

At a March 7 ceremony, three employees of the Department of Energy's SLAC National Accelerator Laboratory were awarded the lab's highest honor ­- the SLAC Director's Award.

Dan Sinars Represents Sandia in First Energy Leadership Class

Dan Sinars, a senior manager in Sandia National Laboratories' pulsed power center, which built and operates the Z facility, is the sole representative from a nuclear weapons lab in a new Department of Energy leadership program that recently visited Sandia.

ORNL, HTS International Corporation to Collaborate on Manufacturing Research

HTS International Corporation and the Department of Energy's Oak Ridge National Laboratory have signed an agreement to explore potential collaborations in advanced manufacturing research.

Jefferson Lab Director Honored with Energy Secretary Award

Hugh Montgomery, director of the Department of Energy's Thomas Jefferson National Accelerator Facility (Jefferson Lab), was awarded The Secretary's Distinguished Service Award by the Secretary of Energy earlier this year.

New Projects to Make Geothermal Energy More Economically Attractive

Geothermal energy, a clean, renewable source of energy produced by the heat of the earth, provides about 6 percent of California's total power. That number could be much higher if associated costs were lower. Now scientists at the Department of Energy's Lawrence Berkeley National Laboratory (Berkeley Lab) have launched two California Energy Commission-funded projects aimed at making geothermal energy more cost-effective to deploy and operate.

Southern Research Project Advances Novel CO2 Utilization Strategy

The U.S. Department of Energy's Office of Fossil Energy has awarded Southern Research nearly $800,000 for a project that targets a more cost-efficient and environmentally friendly method of producing some of the most important chemicals used in manufacturing.

Harker School Wins 2017 SLAC Regional Science Bowl Competition

After losing its first match of the day to the defending champions, The Harker School's team won 10 consecutive rounds to claim victory in the annual SLAC Regional DOE Science Bowl on Saturday, Feb. 11.

Francis Alexander Named Deputy Director of Brookhaven Lab's Computational Science Initiative

Alexander brings extensive management and leadership experience in computational science research to the position.

Kalinin, Paranthaman Elected Materials Research Society Fellows

Two researchers at Oak Ridge National Laboratory, Sergei Kalinin and Mariappan Parans Paranthaman, have been elected fellows of the Materials Research Society.

Two PNNL Researchers Elected to Membership in the National Academy of Engineering

Two scientists at the Pacific Northwest National Laboratory will become members of the prestigious National Academy of Engineering.


High-Energy Electrons Probe Ultrafast Atomic Motion

A new technique synchronized high-energy electrons with an ultrafast laser pulse to probe how vibrational states of atoms change in time.

Rare Earth Recycling

A new energy-efficient separation of rare earth elements could provide a new domestic source of critical materials.

Modeling the "Flicker" of Gluons in Subatomic Smashups

A new model identifies a high degree of fluctuations in the glue-like particles that bind quarks within protons as essential to explaining proton structure.

Rare Nickel Atom Has "Doubly Magic" Structure

Supercomputing calculations confirm that rare nickel-78 has unusual structure, offering insights into supernovas.

Microbial Activity in the Subsurface Contributes to Greenhouse Gas Fluxes

Natural carbon dioxide production from deep subsurface soils contributes significantly to emissions, even in a semiarid floodplain.

Stretching a Metal Into an Insulator

Straining a thin film controllably allows tuning of the materials' magnetic, electronic, and catalytic properties, essential for new energy and electronic devices.

How Moisture Affects the Way Soil Microbes Breathe

Study models soil-pore features that hold or release carbon dioxide.

ARM Data Is for the Birds

Scientists use LIDAR and radar data to study bird migration patterns, thanks to the Atmospheric Radiation Measurement (ARM) Climate Research Facility.

The Future of Coastal Flooding

Better storm surge prediction capabilities could help reduce the impacts of extreme weather events, such as hurricanes.

Estimating Global Energy Use for Water-Related Processes

Scientists find that water-related energy consumption is increasing across the globe, with pronounced differences across regions and sectors.


Wednesday February 15, 2017, 04:05 PM

Middle Schoolers Test Their Knowledge at Science Bowl Competition

Argonne National Laboratory

Friday January 27, 2017, 04:00 PM

Haslam Visits ORNL to Highlight State's Role in Discovering Tennessine

Oak Ridge National Laboratory

Tuesday November 08, 2016, 12:05 PM

Internship Program Helps Foster Development of Future Nuclear Scientists

Oak Ridge National Laboratory

Friday May 13, 2016, 04:05 PM

More Than 12,000 Explore Jefferson Lab During April 30 Open House

Thomas Jefferson National Accelerator Facility

Monday April 25, 2016, 05:05 PM

Giving Back to National Science Bowl

Ames Laboratory

Friday March 25, 2016, 12:05 PM

NMSU Undergrad Tackles 3D Particle Scattering Animations After Receiving JSA Research Assistantship

Thomas Jefferson National Accelerator Facility

Tuesday February 02, 2016, 10:05 AM

Shannon Greco: A Self-Described "STEM Education Zealot"

Princeton Plasma Physics Laboratory

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Ames Laboratory

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Meet Robert Palomino: 'Give Everything a Shot!'

Brookhaven National Laboratory

Tuesday April 22, 2014, 11:30 AM

University of Utah Makes Solar Accessible

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Texas Tech Energy Commerce Students, Community Light up Tent City

Texas Tech University

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Don't Get 'Frosted' Over Heating Your Home This Winter

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American University

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Monday November 01, 2010, 12:50 PM

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Friday May 07, 2010, 04:20 PM

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WUSTL Engineers Provide Free Code to Help Build Better Batteries

Article ID: 612244

Released: 2014-01-09 13:00:00

Source Newsroom: Washington University in St. Louis

  • Credit: Washington University in St. Louis

    Lithium-ion batteries, such as those used in electric vehicles, are in high demand, with a global market value expected to reach $33.1 billion in 2019. But their high price and short life need to be addressed before they can be used in more consumer, energy and medical products.

Neil Schoenherr

nschoenherr@wustl.edu

(314) 935-5235

Lithium-ion batteries, such as those used in electric vehicles, are in high demand, with a global market value expected to reach $33.1 billion in 2019. But their high price and short life need to be addressed before they can be used in more consumer, energy and medical products.

Venkat Subramanian, PhD, associate professor of energy, environmental & chemical engineering at Washington University in St. Louis, and his team have developed a way for lithium-ion battery developers to determine in early stages whether a new material for the batteries will work. The team developed a freely available code that battery developers can use as a model to determine the optimal profile needed to charge a lithium-ion battery as well as any stresses that might be put on the materials used.

“This is a back of the envelope calculation,” says Subramanian, an expert in lithium-ion batteries. “Before you invest millions of dollars to go into manufacturing full-time, you can develop models and codes similar to this and look at this initial data to extrapolate and predict how it will work.”

The research was recently published in Physical Chemistry Chemical Physics.

In a lithium-ion battery, lithium is stored in metallic form inside particles, Subramanian says. The metal goes in and out of the particles, creating stress, cracking and potential failure.

“With this model and algorithm, we can use materials that are newly developed and those currently thought of as bad materials because of significant stress generation,” Subramanian says. “Combining stress effects with optimization algorithms can help derive smart charging profiles that take advantage of stress dynamics in such a way that it ensures faster charging of a battery.”

The code, designed for a Windows platform, is available for free download at http://www.maple.eece.wustl.edu/Controlstressinmaterials.html.

Subramanian says software development such as this code is an important part of developing new lithium-ion batteries.

“When newer materials and systems are being developed for batteries, for solar and for storage, simultaneous development of software, algorithms and hardware are going to be important,” Subramanian says. “We’re not going to wait 10 years and find the best material and the best battery, and then start developing the software. You want to be able to start the software development as we develop the new model and algorithms and then adapt it to newer things as they come along.”

The School of Engineering & Applied Science at Washington University in St. Louis focuses intellectual efforts through a new convergence paradigm and builds on strengths, particularly as applied to medicine and health, energy and environment, entrepreneurship and security. With 82 tenured/tenure-track and 40 additional full-time faculty, 1,300 undergraduate students, 700 graduate students and more than 23,000 alumni, we are working to leverage our partnerships with academic and industry partners — across disciplines and across the world — to contribute to solving the greatest global challenges of the 21st century.

Suthar B, Ramadesigan V, De S, Braatz R, Subramanian V. “Optimal charging profiles for mechanically constrained lithium-ion batteries.” Physical Chemistry Chemical Physics, 2014, 16, 277-287.

Funding for this work was provided by the U.S. Department of Energy Advanced Research Projects Agency – Energy (ARPA-E) (DE-AR0000275) and the McDonnell International Scholar Academy at Washington University in St. Louis.