DOE News
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    The DOE Science News Source is a Newswise initiative to promote research news from the Office of Science of the DOE to the public and news media.
    • 2018-08-13 13:00:34
    • Article ID: 698843

    The Behavior of Water: Scientists Find New Properties of H2O

    A team of scientists has uncovered new molecular properties of water—a discovery of a phenomenon that had previously gone unnoticed. 

    Liquid water is known to be an excellent transporter of its own autoionization products; that is, the charged species obtained when a water molecule (H2O) is split into protons (H+) and hydroxide ions (OH). This remarkable property of water makes it a critical component in emerging electrochemical energy production and storage technologies such as fuel cells; indeed, life itself would not be possible if water did not possess this characteristic. 

    Water is known to consist an intricate network of weak, directional interactions known as hydrogen bonds. For nearly a century, it was thought that the mechanisms by which water transports the H+ and OH ions were mirror images of each other – identical in all ways except for directions of the hydrogen bonds involved in the process.  

    Current state-of-the-art theoretical models and computer simulations, however, predicted a fundamental asymmetry in these mechanisms. If correct, this asymmetry is something that could be exploited in different applications by tailoring a system to favor one ion over the other. 

    Experimental proof of the theoretical prediction has remained elusive because of the difficulty in directly observing the two ionic species. Different experiments have only provided glimpses of the predicted asymmetry. 

    A team of scientists at New York University, led by Professor Alexej Jerschow and including Emilia Silletta, an NYU postdoctoral fellow, and Mark Tuckerman, a professor of chemistry and mathematics at NYU, devised a novel experiment for nailing down this asymmetry. The experimental approach involved cooling water down to its so-called temperature of maximum density, where the asymmetry is expected to be most strongly manifest, thereby allowing it to be carefully detected. 

    It is common knowledge that ice floats on water and that lakes freeze from the top. This is because water molecules pack into a structure with lower density than that of liquid water—a manifestation of the unusual properties of water: the density of liquid water increases just above the freezing point and reaches a maximum at four degrees Celsius (39 degrees Fahrenheit), the so-called temperature of maximum density; this difference in density dictates that liquid is always situated below ice.

    By cooling water down to this temperature, the team employed nuclear magnetic resonance methods (the same type of approach is medically in magnetic resonance imaging) to show that the difference in lifetimes of the two ions reaches a maximum value (the greater the lifetime, the slower the transport).  By accentuating the difference in lifetimes, the asymmetry became glaringly clear. 

    As noted previously, water consists of one oxygen atom and two hydrogen atoms, but the hydrogen atoms are relatively mobile and can hop from one molecule to another, and it is this hopping that renders the two ionic species so mobile in water.

    In seeking explanations for the temperature-dependent characteristics, the researchers focused on the speed with which such hops can occur. 

    Prior research had indicated that two main geometrical arrangements of hydrogen bonds (one associated with each ion) facilitate the hops. The researchers found that one of the arrangements led to significantly slower hops for OH than for H+ at four degrees Celsius. Being that this is also the temperature of maximum density, the researchers felt that the two phenomena had to be linked. In addition, their results showed that molecules’ hopping behavior changed abruptly at this temperature.

    “The study of water’s molecular properties is of intense interest due to its central role in enabling physiological processes and its ubiquitous nature,” says Jerschow, the corresponding author of this study. “The new finding is quite surprising and may enable deeper understanding of water's properties as well as its role as a fluid in many of nature’s phenomena.” 

    Tuckerman, who was one of the first researchers to predict the asymmetry in the transport mechanisms and the difference in the hydrogen bond arrangements, says, “It is gratifying to have this clear piece of experimental evidence confirm our earlier predictions. We are currently seeking new ways to exploit the asymmetry between H+ and OH transport to design new materials for clean energy applications, and knowing that we are starting with a correct model it central to our continued progress.” 

    A large swath of other research, ranging from the study of enzyme function in the body to understanding how living organisms can thrive in harsh conditions, including sub-freezing temperatures and highly acidic environments, will also be impacted by the team’s findings. 

    The research was supported by grants from the National Science Foundation (CHE 1710046, CHE-1534374) and partially by the MRSEC Program of the National Science Foundation (DMR-1420073). 

    DOI: 10.1103/PhysRevLett.121.076001

     

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    Microbes Eat the Same in Labs and the Desert

    Analyses of natural communities forming soil crusts agree with laboratory studies of isolated microbe-metabolite relationships.

    Scientists Produce 3-D Chemical Maps of Single Bacteria

    Scientists at the National Synchrotron Light Source II (NSLS-II)--a U.S. Department of Energy (DOE) Office of Science User Facility at DOE's Brookhaven National Laboratory--have used ultrabright x-rays to image single bacteria with higher spatial resolution than ever before. Their work, published in Scientific Reports, demonstrates an x-ray imaging technique, called x-ray fluorescence microscopy (XRF), as an effective approach to produce 3-D images of small biological samples.

    Self-Sensing Materials Are Here

    Oak Ridge National Laboratory researchers invented a way to make a nanomaterial-embedded composite that is stronger than other fiber-reinforced composites and imbued with a new capability--the ability to monitor its own structural health.

    Diverse Biofeedstocks Have High Ethanol Yields and Offer Biorefineries Flexibility

    Evidence suggests that biorefineries can accept various feedstocks without negatively impacting the amount of ethanol produced per acre.

    Opening Access to Explore the Synthetic Chemistry of Neptunium

    New, easily prepared starting material opens access to learning more about a difficult-to-control element in nuclear waste.

    Symbiosis a Driver of Truffle Diversity

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    Climate Simulations Project Wetter, Windier Hurricanes

    New supercomputer simulations by climate scientists at the Department of Energy's Lawrence Berkeley National Laboratory (Berkeley Lab) have shown that climate change intensified the amount of rainfall in recent hurricanes such as Katrina, Irma, and Maria by 5 to 10 percent. They further found that if those hurricanes were to occur in a future world that is warmer than present, those storms would have even more rainfall and stronger winds.

    Tiny Titanium Barrier Halts Big Problem in Fuel-Producing Solar Cells

    New design coats molecular components and dramatically improves stability under tough, oxidizing conditions.

    X-Rays Show How Periods of Stress Changed an Ice Age Hyena to the Bone

    An international team has unearthed what life might have been like for a now-extinct subspecies of spotted hyena. They found that despite their massive size, some cave hyenas experienced times of hardship that affected them to the bone, causing areas of arrested growth that appear as dark lines, like rings on a tree trunk.

    Turning Wood Scraps into Tape

    A new chemical process converts a component of wasted wood pulp and other biomass into high-value pressure-sensitive adhesives.


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    Argonne's Min Si receives early career award from IEEE Computer Society

    Argonne's Min Si wins Award for Excellence for Early Career Researchers in High Performance Computing through the Institute of Electrical and Electronics Engineers.

    Jefferson Lab Director Appointed to Distinguished Professorship

    Stuart Henderson, director of the Department of Energy's Thomas Jefferson National Accelerator Facility, has been appointed the Governor's Distinguished CEBAF professor at Old Dominion University. The position is supported by the Commonwealth of Virginia and is named for the Continuous Electron Beam Accelerator Facility, which is the main research facility located at Jefferson Lab.

    DOE issues call for HPC for Energy Innovation proposals

    The U.S. Department of Energy's (DOE) High Performance Computing for Energy Innovation (HPC4EI) Initiative today issued its first joint solicitation for the High Performance Computing for Manufacturing Program (HPC4Mfg) and the High Performance Computing for Materials Program (HPC4Mtls).

    DOE funding advances project to turn captured CO2 into key chemicals

    The U.S. Department of Energy has selected Southern Research for an award of up to $1.5 million to advance technology for carbon dioxide utilization.

    Sierra Reaches Higher Altitudes, Takes Number Two Spot on List of Fastest Supercomputers

    Sierra, Lawrence Livermore National Laboratory's newest supercomputer, rose to second place on the list of the world's fastest computing systems, TOP500 List representatives announced Monday at the International Conference for High Performance Computing, Networking, Storage and Analysis conference (SC18) in Dallas.

    Green energy: Wind energy agreement will provide savings, 50 percent of electricity needs for Kansas State University Manhattan campus

    Kansas State University has signed an agreement with Westar Energy to provide approximately 50 percent of the energy needs for the university's main Manhattan campus from a wind farm in Nemaha County and save the university nearly $200,000 annually.

    INCITE grants awarded to 62 computational research projects

    The U.S. Department of Energy announced new projects for 2019 through its Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program.

    Argonne's Raj Kettimuthu Named ACM Distinguished Member

    Argonne computer scientist Raj Kettimuthu recently was named a Distinguished Member of the Association for Computing Machinery for his development of tools to analyze and enhance end-to-end data transfer performance.

    Jefferson Lab-Affiliated Researchers Honored as APS Fellows

    The Department of Energy's Thomas Jefferson National Accelerator Facility now has a few more fellows on campus. The American Physical Society, a professional membership society that works on behalf of the physics community, recently announced its list of 2018 fellowships.

    Jefferson Lab Receives DOE Award for Energy Efficient Upgrade

    On Oct. 23, a team from the Department of Energy's Thomas Jefferson National Accelerator Facility was honored at the 2018 Federal Energy and Water Management Award Ceremony for upgrades made to the lab's data center, ultimately improving its energy efficiency.


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    Microbes Eat the Same in Labs and the Desert

    Analyses of natural communities forming soil crusts agree with laboratory studies of isolated microbe-metabolite relationships.

    Diverse Biofeedstocks Have High Ethanol Yields and Offer Biorefineries Flexibility

    Evidence suggests that biorefineries can accept various feedstocks without negatively impacting the amount of ethanol produced per acre.

    Opening Access to Explore the Synthetic Chemistry of Neptunium

    New, easily prepared starting material opens access to learning more about a difficult-to-control element in nuclear waste.

    Tiny Titanium Barrier Halts Big Problem in Fuel-Producing Solar Cells

    New design coats molecular components and dramatically improves stability under tough, oxidizing conditions.

    Turning Wood Scraps into Tape

    A new chemical process converts a component of wasted wood pulp and other biomass into high-value pressure-sensitive adhesives.

    Very Heavy Elements Deliver More Electrons

    Scientists revise understanding of the limits of bonding for very electron-rich heavy elements.

    Probing Water's "No-Man's Land" Temperature Region

    Measuring the physical properties of water at previously unexplored temperatures offers insights into one of the world's essential liquids.

    Novel Soil Bacteria with Unusual Genes Synthesize Unique Antibiotic Precursors

    A large-scale soil project uncovered genetic information from bacteria with the capacity to make specialized molecules that could lead to new pharmaceuticals.

    Warmer Temperatures Lengthen Growing Season, Increase Plants' Vulnerability to Frost

    Experimental warming treatments show how peatland forests may respond to future environmental change.

    Rising Stars Seek to Learn from the Master: Mother Nature

    A trio of scientists was recognized for their early career successes in uncovering how microbes produce fuel, insights that could change our energy portfolio


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