Petaflop country by prq88803


									                                                         U.S. Department of Energy                              Number 98, April 2008

Petaflop country
UT-National Science Foundation supercomputer to reside in Lab’s computer bay
W      e’re very hungry for computer power.
       We can never get enough,” says Uni-
versity of Tennessee and ORNL researcher
                                                       “I’ve long believed the University of Ten-
                                                    nessee has the potential to be a world-class
                                                    research institution, and this is just the latest
                                                                                                         new facilities and improved infrastructures.
                                                                                                            ORNL won, in 2004, the DOE Office
                                                                                                         of Science’s Leadership Computing Facil-
Jeremy Smith. The UT-ORNL Governor’s                in a series of suc-
Chair holder and molecular biophysicist             cesses by UT and
makes that stark statement in a video pre-          its partners in Oak
sented at the dedication of a groundbreaking        Ridge that tells
facility located on the ORNL campus.                me others agree,”
   The National Science Foundation has              Bredesen said. “I’m
awarded $65 million to the University of Ten-       pleased to see this
nessee to build and operate one of the world’s      project come to the
most powerful supercomputers and to lead a          Joint Institute for
nationwide partnership to put it to use. The        Computational Sci-
computing collaboration will be housed at           ences, and proud
ORNL, in the state funded Joint Institute for       of the state’s role
Computational Sciences.                             in supporting the
   East Tennessee is poised to become               innovative projects it
petaflop country.                                    houses.”
   “This is a major national win that places            The partnership is
the university in the upper echelon of super-       called the National      University of Tennessee President Jon Petersen, Gov. Phil Bredesen
computing capability. It represents further         Institute for Com-       and ORNL Director Thom Mason and, behind Thom, National Science
affirmation of the tremendous capability of          putational Sciences. Foundation Cyberinfrastructure Director Dan Atkins watch the
the University of Tennessee-Oak Ridge part-         The project team is      dedication ceremony video.
nership,” says UT President John Petersen.          led by ORNL’s Asso-
“It will have far-reaching positive impact on       ciate Laboratory Director Thomas Zacharia,           ity, which resulted in ORNL’s hosting the
economic development for the entire state.”         who is also UT’s vice president for science          Cray Jaguar supercomputer, which has been
   Tennessee Gov. Phil Bredesen, who                and technology.                                      ranked as the world’s most powerful machine
attended the official announcement on a rainy           NICS is another example of how ORNL’s             for open research. The Jaguar is located in
April 3, praised the joint success of UT and        modernization program has lured large pro-           the privately funded Computational Science
ORNL in achieving the NSF funding award.            grams to the Lab to take advantage of the                                         (See NSF, page 5)

‘ORNL kid’ Teal Sherer stars in a
groundbreaking TV commercial
T    he Liberty Mutual commercial features a young woman in a wheelchair, negotiating her way
     through a vexing day. The car won’t start and it’s pouring rain; she boards a bus with the help of a
wheelchair lift and ducks under a low-hanging barrier—all to cast a solitary vote at a sparsely attended
polling place.
   A natural reaction to the “doing the right thing” series advertisement is to assume the pretty actor
portraying the paraplegic subject is really just acting.
   “People who are disabled can tell by the way she handles the wheelchair that she is also disabled,”
says Suzanne Sherer, a finance officer in the Business & Information Services Directorate. Suzanne
is the mother of Teal Sherer, who is featured in the commercial and is currently living in West Holly-
wood, Calif., to build an acting career.
   Injuries suffered in traffic accident at age 14 left Teal paralyzed from the waist down. She neverthe-
less graduated from Lenior City High School and went on to Oglethorpe University in Atlanta, which
is near the Shepherd Center, a rehabilitation facility that she credits, along with “the best mother ever,”
with putting her “on the road to independence.”
   “Teal took theater in college and loved it,” Suzanne says. Bitten by the acting bug, Teal appeared
                                                                                     (See TEAL, page 2)        Teal Sherer
Teal                                               tions director of the SAG Performers
                                                   with Disabilities Committee, she has
                         Continued from page 1     worked to open up acting jobs for
in plays in Atlanta. She won a role in a TV        actors with disabilities. She is produc-
movie, “Warm Springs,” about Franklin              ing “The History of Bowling,” a satire
Delano Roosevelt’s first visits to the Georgia      written by disabled playwright Mike
spa after being stricken with polio.               Ervin.
   Teal also drew the task of tutoring                While in Atlanta she visited the
acclaimed British actor Kenneth Branagh,           Shepherd Center as a peer supporter.         “Friends tell me all the time that they
who played FDR, on how to wear leg braces             In Liberty Mutual’s commercial
and swim as if he didn’t have the use of his       series, good deeds and good decisions
                                                                                                forget I’m in a wheelchair.
legs.                                              spawn a better world. Teal’s “Election” They just forget.”
   “He claimed he needed to see how I swim,        spot implies that there aren’t many
but I prefer to believe it was a ploy to see me    valid reasons for neglecting one’s
in my bathing suit,” she wrote in an article for   civic responsibility. They picked a good one       and personality. No matter what your situa-
New Mobility magazine.                             to drive home the point about determination.       tion, if you have a great attitude, other people
   “Warm Springs” won five Emmys out                “Disabled” really isn’t a word that describes      pick up on it.”
of 16 nominations; she got a peck on the           Teal.                                                 We might be seeing a lot of Teal between
cheek from Branagh. Teal has also acted in            “Friends tell me all the time that they forget  now and the November elections. View the
a TV pilot and continues to be an activist for     I’m in a wheelchair. They just forget,” Teal       entire commercial at http://whatsyourpolicy.
the rights of the disabled. As communica-          says in New Mobility. “It’s all about attitude     com/videos.—B.C.

ORNL welcomes three new Wigner fellows
                                                      Athena Safa-Sefat joined the Materials Sci-      ing from University of California, Berkeley,
T   hree new Wigner fellows have joined
    ORNL. The two-year postdoctoral fel-
lowships, named for Eugene Wigner, a Nobel
                                                   ences & Technology Division in December
                                                   2007. She is in the Correlated Electron Mate-
                                                                                                       where he worked on the development of
                                                                                                       array-based microcantilever biosensors.
laureate and ORNL’s first science director,         rials group, working with David Mandrus.            Henry earned his doctorate in pathology in
are awarded to some of the world’s top early       She received her B.S. in 2001 and her Ph.D.         2007 from the Keck School of Medicine
career researchers.                                in 2005 at McMaster University, Hamilton,           at the University of Southern California,
                       Paul Kardol has been                            Ontario, in solid state                            continuing the work with
                    working with the Environ-                          chemistry. Her doctorate                           microcantilever biosen-
                    mental Sciences Division’s                         thesis was on the magnetic                         sors and also developing
                    Aimee Classen since                                and electronic transitions                         a filter-based microdevice
                    February. He received his                          of vacancy-doped oxide                             for enumeration and char-
                    master’s degree in 2000                            materials. Athena worked                           acterization of circulat-
                    in landscape ecology-ani-                          as a postdoctoral fellow at                        ing tumor cells. Henry’s
                    mal population biology                             Ames Laboratory, where                             current research interests
                    from the University of                             her research focused on                            include the development of
Kardol              Utrecht. Paul earned his       Safa-Sefat          intermetallic crystals, their   Lin                biosensors for diagnostic
                    doctorate in ecology in                            structures, and magnetic                           applications and research-
2007 from the Netherlands Institute of Ecol-       and transport properties. She has coauthored        enabling platforms to tackle complex biologi-
ogy, Wageningen University. Paul’s current         20 publications. Athena’s current research          cal problems such as metastasis. Outside of
research interests include rhizosphere interac-    interests include the syntheses of new and          work, Henry enjoys cycling, running, hiking
tions, plant-soil feedbacks and plant commu-       improved functional oxides in polycrystalline       and playing basketball.
nity dynamics and invasions under climate          and single crystal forms. Outside of work,
change. Outside of work, Paul enjoys biking        she enjoys outdoor activities, the company of
(quite a challenge in Tennessee, he thinks),       friends and spending time with her dog, Max.        Work closes east campus entry
                                                      Henry Lin joined the Biosciences Division,
hiking, climbing and traveling to exotic and
far-away countries.                                working with Ram Datar, in January 2008.
                                                   He received his B.S. in 2002 in bioengineer-
                                                                                                       E    lectrical upgrades to the privately funded
                                                                                                            facilities have closed White Oak Avenue
                                                                                                       to traffic for six months. The closing involves
                                                                                                       White Oak Avenue from the intersection of
                                                                                                       Southside Drive to the alley east of the Engi-
                                                                                                       neering Technology Facility, blocking the east
            is published for employees and retirees of Oak Ridge National Laboratory, which            approach to the ORNL campus.
       is managed by UT-Battelle for the U.S. Department of Energy.                                       Traffic entering and leaving the main
                                                                                                       ORNL campus should use the Fifth Street or
     Bill Cabage, editor, 865/574-4399 or                                            First Street entrances. The work is expected
                                                                                                       to wrap up by July 31.
     Deborah Barnes, associate editor, 865/576-0470 or                                  Also, effective April 11, the inbound traf-
                                                                                                       fic gates at the Bethel Valley Road vehicle
     On the Web:                                                                 entrances will be closed at 9 p.m. and opened
                                                                                                       at 4 a.m., daily. The portals will continue
     DOE Inspector General Hotline: 1-800-541-1625                                                     to be staffed, and the gates will be quickly
                                                                                                       opened for all badged employees.
 2                                                                                                                                         April 2008
                                                                          Classified: Musca               posted the now declassified document on
                                                                          domestica control              their bulletin board on its 62nd anniversary.
                                                                          Shortly after World War
                                                                          II, famed ORNL health          Earth Day: You can go back home
                                                                          physicist Karl Z. Mor-            This year the Lab’s Earth Day celebration
                                                                          gan was frustrated by          on April 22 includes a talk by Jeff Christian
                                                                          classification officers’         on the Near-Zero Energy Homes project, an
                                                                          tendency to classify           alternative vehicle transportation show (i.e.,
                                                                          nearly everything, even        hybrids, biofueled models, motorcycles,
                                                                          reports on commonly            bicycles) and a tour of the Conference Center
                                                                      used instruments. So, in           pond.
                                                                     April 1946 he submitted a              The pond was the center of activity for
                                                                   report on                             last year’s Earth Day, featuring the release of
                                                                a frequently                                   several indigenous fish and turtle species,
                                                            used apparatus,                                                     including gar and
Magnetic fields your neighbor can                   the “Low-Draft Fly                                                                            sliders.
appreciate                                         Swat.”
   Scientists often need to apply strong mag-         “This rubber cov-
netic fields to the materials they study but        ered cloth contains 80
find that stray magnetic fields wreak havoc          holes 1/8" in diameter.
with their (and their neighbors’) experiments.     The purpose of these
The Spallation Neutron Source has taken a          holes is to reduce the
big step toward solving this problem by com-       compression wave
missioning the world’s first actively shielded      when swatting a fly.
magnet system specifically designed for neu-        Otherwise the air
tron scattering.                                   concussion would
   The new magnet system is known as Slim          help the fly on
SAM (shielded asymmetric magnet). It               its take-off and
produces a central field of up to 5 tesla (T),      would give him
which is modest compared with the strongest        additional warn-
unshielded neutron magnets of 15 T; however,       ing of imminent
it has the advantages of very low stray field,      danger,” he
an asymmetric field profile optimized for            wrote, explain-
using polarized neutron beams and a compact        ing some of the       Morgan
size. Slim SAM has passed acceptance tests         physics behind                ’s repor
                                                                                         t: “Rath
and is available for the next round of user        the instrument.                               er conv
proposals.                                            Morgan submitted the report on
   For those who demand both the strongest         April 1, 1946. The document was duly clas-            It’s
fields and active shielding, a 16-T actively        sified, presumably to prevent others from              hard to say how the gar
shielded system has been designed and is           developing their own death-dealing device.            took to the pond, but some of the slid-
under fabrication through a collaboration with        Morgan’s April Fools’ gag was turned up            ers and painted turtles emerged on the first
the Paul Scherrer Institut, a neutron scattering   by ORNL History Room volunteers Steve                 warm days of this spring, sunning themselves
facility in Switzerland. Delivery to SNS is        Stow, Bill Yee and Charles Congdon, who               on the log structures placed for them in the
scheduled for 2009.                                                                                      pond.
                                                                                                                The release anticipated a Lab program
                                                                                                             to reestablish native fish species in White
   Bluebirds over the mountain
                                                                                                             Oak Creek. Mike Ryon, Kittie McCracken
     With its open spaces,                                                                                   and James Scott have been reintroducing
  the Spallation Neutron                                                                                     stripetail and snubnose darters, rock bass,
  Source is an ideal area for                                                                                striped shiners, bluntnose minnows and
  bluebirds. On March 29,                                                                                    northern hog suckers back into the stream.
  members of Oak Ridge                                                                                          The species died out when water qual-
  Boy Scout Troop 328 sac-                                                                                   ity was affected during Cold War years,
  rificed a Saturday morn-                                                                                    and even though water quality has vastly
  ing for a service project                                                                                  improved since then, thanks to pollution
  to install bluebird houses                                                                                 prevention efforts and riparian zone man-
  around the Chestnut Ridge                                                                                  agement, barriers downstream have pre-
  site. Here, scout Marcus                                                                                   vented the fish from reentering the creek.
  Bowling and cub scout                                                                                         So the Environmental Sciences Division
  Nick Bowling install a                                                                                     effort is helping them out. With any luck,
                                                                                                       Curtis Boles

  birdhouse with the Nano-                                                                                   the fish will reestablish their role in White
  science Center in the                                                                                      Oak Creek’s original ecosystem.
                                                                                                                             Assembled by Bill Cabage
ORNL Reporter                                                                                                                                         3
Significant Event Awards mark outstanding efforts
S   ignificant Event Awards were distributed
     recently to staff members for their out-
standing accomplishments in research and
                                                Benker, Barry Spencer, Bill Del Cul, Kevin
                                                Felker and Ray Vedder
                                                                                                  First responder initial training and 911 dis-
                                                                                                patcher training for the control center assis-
                                                                                                tants in the Laboratory Shift Superintendent
operations. Congratulations to all.               Showcase of the Commercial Motor
                                                                                                team: J. S. Thomas, C.L. Daubenspeck, L.L.
                                                Vehicle Roadside Technology Corridor: Gary
                                                                                                Dowdell, A.L. Martin, L.C. Wilkerson and
                                                Capps, Sheila A. Moore, Helmut K. Knee,
Biological & Environmental Sciences                                                             J.W. Williams
                                                Oscar Franzese, Phyllis J. Daley, Debbie T.
  Release of the first State of the Carbon       Bain, Mary Beth Lascurain and Pat Hu            Global Initiatives
Cycle report: Anthony W. King, Gregg Mar-          Contributions to the NA-21 Program Mis-        Information system certification and
land, Thomas J. Wilbanks, Sherry B. Wright      sion: Tim Wynn                                  accreditation activities: Sandra S. Goldston
and Greg P. Zimmerman
                                                  Successful completion of the Mercury            New softcopy imagery capability: Brent
   Design, procurement and implementa-          Intense Target Experiement design, devel-       Starr
tion of major systems upgrade for ORNL          opment and operation in-beam at CERN in
Distributed Active Archive Center for Bio-                                                      Human Resources
                                                November 2007: V. B. Graves, D. E. Hobson
geochemical Dynamics: Bruce E. Wilson,          and A. J. Carroll                                 Part-time Benefits Project: Tricia Bryant,
David Sill, Tammy Beaty, Ben McMurry, Giri                                                      Janice Ishee, Becky Parks, Deborah Alvaro,
Palanisamy and Suresh Santhan Vannan               Successful completion of the NCSX modu-      Rick Stephens, Michael Bjerke, Judith Hick-
                                                lar magnetic coil interface design (Level II    man and Shane Tucker
  Procurement Effort for BioEnergy Science      DOE Milestone): Michael J. Cole
Center: Mitzi B. Bailey                                                                         ITER
                                                Environment, Safety, Health & Quality
Business & Information Services                                                                   U.S. ITER support to ITER International:
                                                   Reduction of legacy compliance vulner-       Gregory Capps, Robert Wayne Steffey and
 Support for 2007 Day of Science: Will          abilities in 9204-3 at ORNL/Y-12 by removal
Minter, Mike Bradley, Brenda Hackworth,                                                         Robyn Rose
                                                of excess equipment/materials and charac-
Connie Sharpe and Greg Gruzalski                terization/disposition of radioactive wastes:     Response to U.S. ITER budget crisis, 2008:
Computing & Computational Sciences              Laura Harvey, Mary Sue Hamilton, Mary           Suzanne Herron, Jama Hill and Janet Bivens
                                                Dunsmore, Claude Sampson, Lee Zeven-
  Successful Support of Supercomputing                                                          Legal
                                                bergen, Roger O’Dell, Scott Bowman, Jack
2007 Conference: Linda Duncan                   Adams, Dennis Rice, Rich Utrera, Richard           Successful execution of a classified project
                                                Peden and Stan Heath                            vital to the national security: James N. Sum-
  Successful completion of the Bombing
                                                                                                ner, Jon Kreykes, Duane F. Starr, David F.
Prevention and Capabilities Analysis Proj-         Significant Expansion of National Vol-        Felde and Alan M. Parker
ect: Richard C. Ward, Barbara G. Beckman,       untary Laboratory Accrediation Program
Daniel B. Koch, April D. McMillan, Kenneth      accreditation for the ORNL Metrology Labo-        Nuclear Operations
W. Childs, Michael R. Moore and John B.         ratory: M.L. Duncan, W.E. Wright, B.K.
Wilgen                                                                                             Significant accomplishments in the imple-
                                                Sizemore, G.A. Strickland and A. J. Denton
                                                                                                mentation of reactor mechanical system
  Successful establishment of ORNL as the         Change of respirator selection options and    improvements at the High Flux Isotope Reac-
computational lead for the Defense Advanced     inventory in response to safety concerns:       tor, including the deployment of new tech-
Research Programs Agency Foundation             Michael Sugarman                                nologies: R. Scott Brackett, Patrick A. Tobin,
Program, the next generation of socio-techni-                                                   Bennie H. Brewer II, Geoffrey G. Deichert,
cal simulation: Steven Fernandez, Auroop        Facilities & Operations                         Thomas K. Roche, E. Dale Hickman, Ray-
Ganguly, Cathy Jiao, Amy Rose and Phil             Two years without a recordable injury on     mond B. McKeown and Kenneth R. Houbre
Coleman                                         ORNL FDD construction work: J. Robert
                                                                                                Neutron Sciences
   Flow-path analysis resulting in multi-mil-   Ihle, Wayne Underwood, Richard Haun, Jef-
lion dollar savings to the USAF: John R.        frey Harrison and Kenneth Brown                   Completion of superconducting radio-fre-
Kirkpatrick                                                                                     quency test facility keeps Spallation Neutron
                                                   Supervising hoisting and rigging opera-
                                                                                                Source power ramp-up on track: Dan Stout,
  2007 ORNL phishing attack and cyber           tions: Stephen C. Rose
                                                                                                John Mammosser, Bill Stone, Mark Crofford,
security response: Philip Arwood, Mark             Management and coordination of Opera-        Dale Heidenreich, David Vandygriff, Derrick
Floyd and Jeff Schibonski                       tions Security program, activities and events   Williams, Matt Howell, Herb Strong, Tom
                                                at ORNL: Janie A. Blackwell                     Neustadt, Jason Stigal and Mike Dobiel
  Simulation aids development of first coal
plants with near-zero emissions: Sreekanth       Improved liquid nitrogen system imple-            High Flux Isotope Reactor HB-4 time-of-
Pannala                                         mented in SAP: Lori (Odie) Costanzo             flight testing and common casing redesign
                                                                                                and installation: G. Brent Taylor, R. Tom
Energy & Engineering Sciences                    Installation of the Remotely Operated          Roseberry, Ron G. Maples, Stephen Kulan,
  Successful startup of the GNEP/AFCI           Weapon System: Daron Keesee                     Phil D. Ferguson, Erik Iverson, Lee Rob-
Coupled End-to-End Demonstration of Spent         Building 2010 (former ORNL cafeteria)         ertson, David G. Renfro, Bruce F. Siefken,
Fuel Recycle Processing: Jeff Binder, Bob       demolition and disposition project: Steven L.   Ed M. Ducko, George A. Barclay, Ben G.
Jubin, Porter Bailey, Emory Collins, Gary       Laman, Julia K. Hancock, Bryce A. Powers        Rothrock, Carl J. Schepens, Eric L. Griffis,
Bell, Joe Giaquinto, Elisabeth Walker, Dennis   and Lance J. Mezga                              Keith B. Napier, Phong T. Nguyen, Young

4                                                                                                                                   April 2008
                                                  NSF                                                 areas such as chemistry, biochemistry, particle
                                                                                                      physics, engineering and computer science.
                                                                                                         “Researchers need increasingly powerful
                                                                           Continued from page 1
                                                                                                      computing resources if they are to deliver
Soo Kwon and Donald H. Abercrombie                Building, located next to JICS.                     the breakthroughs that society demands in
National Security                                    Lab Director Thom Mason described meet-          climate science, energy research and other
                                                  ing Tennessee’s governor for the first time          fields,” says Zacharia. “This award will
  DHS Office of Bombing Prevention IED             when Bredesen was a candidate for the post.         guarantee that we are able to deliver those
Technology Development Conference sup-            That the governor is a physicist by schooling       resources.”
port:                                             came as a good sign.                                   The grant includes $30 million for com-
  Lara A. James, Bobbie R. Sweet, Kristy S.          “Gov. Bredesen as a candidate took the           puter hardware as well as $35 million toward
Herron, Ann B. Hasting, Linda S. Edwards,         challenge [to build a joint institute] and took a   operation of the system over the course of the
Shirley McKamey and Cheryl M. Edwards             risk,” Thom said.                                   next five years.
                                                     It is a risk that is paying off for the state.      With those tools, researchers like Jeremy
Physical Sciences                                 Another state-funded joint institute, the           Smith will, as the NSF Office of Cyber Infra-
  Development of IBAD-based second-               Joint Institute for Biological Sciences, was        structure Director Dan Atkins alliteratively
generation superconducting wires as part          selected last year to house one of the Office of     expressed, “find knowledge needles in enor-
of the ORNL-SuperPower CRADA Team:                Science’s Bioenergy Research Centers. Two           mous data haystacks.”
M. Paranthaman, T. Aytug, A. Goyal, E.D.          more joint institutes are planned: one for neu-        Led by UT, the NICS partnership includes
Specht, L. Heatherly and C. Cantoni               tron sciences, adjacent to the Spallation Neu-      academia (Clemson, Duke, Florida State,
                                                  tron Source, and a joint institute for advanced     Louisiana State, North Carolina State, Rice
  Acquisition of new Hight Field, 700-MHz         materials that is planned for the UT campus.        and Vanderbilt universities; the universities
nuclear magnetic resonance spectrometer:             The new supercomputer system will be             of Houston, Oklahoma, and Virginia; and
Edward W. Hagaman                                 built and deployed in partnership with Cray         Virginia Tech), current NSF resource provid-
                                                  and AMD, and it will be capable of nearly           ers (the National Center for Atmospheric
   Discovery of new short-lived alpha-emit-
                                                  1,000 trillion calculations a second (one pet-      Research, ORNL, and Texas Advanced Com-
ters near the doubly magic nucleus 100Sn:
                                                  aflop/s) giving researchers the tools they need      puting Center); a university consortium (Oak
Krzystof Rykaczewski, Robert Grzywacz,
                                                  to conduct transformational research in a vari-     Ridge Associated Universities); and industrial
Carl Gross, Dan Shapira and Carrol Bingham
                                                  ety of fields including astrophysics, climate        partners (Cray and AMD).—Reported by Jay
  Breakthrough approach in gaining new fun-       research, earth science and advanced materi-        Mayfield and Bill Cabage
damental understanding of the atomic origins      als. The system will also enable researchers
of strength: Hongbin Bei and Easo George          to develop new knowledge and solutions in
  Development of laser ion source technol-
ogy for the Holifield Radioactive Ion Beam                  NSF joins a suite of supercomputers
Facility: Yuan Liu, Charles Havener, Randy
Vane and John Cole
  Bettis irradiated bolt testing: Eric T. Mann-
                                                   T    he Joint Institute for Computational Sciences, now home of the University of Tennessee
                                                        and National Science Foundation supercomputing collaboration, wasn’t actually designed
                                                   with the infrastructure necessary to house a supercomputer.
eschmidt, Robert G. Sitterson, Charles A.             However, the Computational Sciences Building across the street was, and that’s where
Baldwin and Robert N. Morris                       the National Institute for Computational Sciences’ big machine will reside, on the first floor.
                                                   NSF’s Kraken will join a number of high-pow-
                                                   ered computing facilities in the CSB and the
                                                   joint institute newly renamed NICS.
                                                      ORNL’s Cray XT4 Jaguar, currently hom-
                                                   ing in on 250 teraflop/s, is located in the CSB,
                                                   joined by he NSF’s current Kraken supercom-
                           Club ORNL has           puter. As Kraken grows, space will be made
                        several activities and     available in the CSB’s big computer bay, which
                        trips planned, includ-     features the popular tour-stop observation win-
ing a Keeneland Racing trip on April 13, a         dow.                                                Jaguar, in the Computational Sciences
day trip to the Chattanooga Aquarium on                Cheetah, one of ORNL’s older supercomput- Building
May 17, a golf tournament on May 21 and            ers, and Phoenix, which bears the VIP signatures including George Bush’s and Al Gore’s, will
the Vintage Car & Motorcycle Show on May           stay put for the time being on the first floor of the CSB, near the window. Several infrastruc-
29.                                                ture servers and the High Performance Storage System infrastructure are also in the CSB.
   Get the latest Club ORNL news on-line              The joint institute can accommodate some systems, including the Red Oak and White Oak
on the ORNL home page and on ORNL                  clusters, and UltraScience Network and UT’s Hercules. The eXtremeTORC (Tennessee-Oak
Today. Retirees, to gain access to the ORNL        Ridge Computer) is also in the joint institute.
home page, first register in XCAMS by                  The eventual floor plan for the CSB’s computer bay has the NSF computer and the DOE
going to         Office of Science’s Leadership Computing Facility machine sitting next to each other and tak-
signup.shtml. After receiving your XCAMS           ing up nearly half the voluminous room.
account and Club ORNL membership, retir-              Electric power upgrades to the CSB, the construction of which has closed White Oak Ave-
ees can then go directly to https://www.ornl.      nue until midsummer, will result in lines feeding 14 megawatts of electricity to the building.
gov/adm/clubornl. Ross Toedte, 574-1912,           More electricity will feed a 6,600-ton air-conditioning system to cool the computers., is the retiree point of            “Your typical house’s AC is three tons,” the Center for Computational Science’s Buddy
contact.                                           Bland notes, for comparison’s sake.—B.C.

ORNL Reporter                                                                                                                                     5
Atomistic detail
Potassium channel model lights the way for simulations of molecular machines
S    cientists are using resources at the
     National Center for Computational Sci-
ences to simulate in unprecedented detail the
                                                     called Rosetta to predict the three-dimen-
                                                     sional structure of the potassium-channel
                                                     protein. For a given sequence of amino acids,
                                                                                                             In a step toward achieving their long-term
                                                                                                          goal of understanding how membrane-associ-
                                                                                                          ated molecular protein machines function, the
voltage-gated potassium channel, a mem-              Rosetta conducts a large-scale search for            researchers simulated the motion of all atoms
brane protein that responds to spikes of elec-       three-dimensional protein conformations that         in the system using a molecular dynamics
tricity by changing shape to allow potassium         are especially low in free energy and assumes        code for parallel processing that was devel-
ions to enter a cell.                                the native state is the one with the least free      oped in Schulten’s lab.
   “The study will serve as a future road map        energy. The group found that simulations of             The code, called NAMD, uses Newton’s
for simulating, visualizing and elucidat-                                                                      laws and an energy function to simulate
ing the workings of molecular nanoma-                                                                          protein behavior in steps on the order of
chines,” says professor Benoît Roux of                                                                         one femtosecond, or trillionth of a sec-
Argonne National Laboratory and the                                                                            ond. By looking at how the potassium
University of Chicago.                                                                                         channel moves in tiny, ultrafast incre-
   In essence, a voltage-activated ion                                                                         ments, researchers can build a biologi-
channel is a nanoscale device acting as                                                                        cally meaningful picture of its dynamics.
an electric switch, he says. With Uni-                                                                            Roux’s group received funding from
versity of Illinois at Urbana-Champaign                                                                        the National Institutes of Health and an
researchers Klaus Schulten and Emad                                                                            allocation of NCCS supercomputer time
Tajkhorshid, Roux uses the Leadership                                                                          through a DOE program called INCITE
Computing Facility at ORNL to model                                                                            (for Innovative and Novel Computational
the channel in its open and closed states                                                                      Impact on Theory and Experiment). In
and determine the gating charge driving                                                                        2007 the researchers used about 2.5 mil-
the change in conformation between the                                                                         lion processor hours on the NCCS’s Cray
two states.                                                                                                    XT Jaguar supercomputer to model the
   If the switch operates normally, the                                                                        behavior of systems with up to 350,000
potassium channel opens when activated                                                                         atoms. “We are in the process of unravel-
and closes when resting. But if gating       A visualization of the modeled three-dimensional structure        ing the atomistic basis for the coupling
                                             of the potassium-channel protein, performed on the ORNL
malfunctions—and it can go awry in           Jaguar supercomputer.
                                                                                                               between a voltage-gated channel and the
various ways—cardiovascular or neuro-                                                                          transmembrane electric potential,” says
logical disease can result. The important                                                                      Roux, whose group has received a 2008
functions of potassium channels in excitable         the open and closed states are stable. Assess-       INCITE grant of 3.5 million hours on Jaguar
cells make them good drug targets.                   ing stability is critical to supporting the          to continue the studies.—Dawn Levy
   Roux’s team is using a computer program           model’s validity.

Spring walks include invasive plants, reptile trap sites
F    our different areas of DOE’s Oak Ridge
     Reservation are featured in this spring’s
series of five nature walks.
                                                    sites tour will highlight the impact of non-
                                                    native species on native species and how
                                                    those impacts can be reduced,” Pat says.
                                                                                                             A tour of trapping sites for aquatic turtles,
                                                                                                          snakes and lizards in the Three Bend area,
                                                                                                          which includes Solway and Freels bends, is
   The schedule includes one wildflower walk            Participants should plan to dress in layers,       set from 9 a.m. until noon Saturday, May 17.
(April 20), two bird walks (April 19 and May        wear sturdy shoes and bring a container of            John Byrd, coordinator for the Clinch River
3), one tour of an animal inventory research        water. Children may attend all but one of the         Environmental Studies Organization, will
site (May 17) and one tour of invasive plant        walks (the invasive species site tour); no pets       conduct the tour. The participation limit is 15.
sites (June 14). Preregistration is necessary.      are allowed on any of the tours.                         A tour of invasive plant sites will take
   “The ORR is a particularly rich area in             The first bird walk is Saturday, April 19,          place from 9 a.m. until noon Saturday,
terms of biological diversity. These walks          in the Freels Bend area. Conducted by Jim             June 14. The Environmental Sciences Divi-
are an opportunity to see the different bird        Evans of the Tennessee Wildlife Resources             sion’s Harry Quarles will lead the tour. The
species that are drawn to the undisturbed           Agency, the walk will cover about two miles.          group limit is 20; no children under age 10
areas of the reservation. We can also see the          The Sunday, April 20, wildflower walk               may participate.
native plant species that thrive in these areas     covers almost two miles with about half of               Reservations must be made in advance by
and learn more about some of the non-native         the trip off the trail in some steep sloped areas     noon the Friday before each walk by con-
species that threaten them,” says Pat Parr of       of the East Fork Ridge Old Growth Forest.             tacting Lana McDonald, (865) 574-7323,
the Facilities & Operations Directorate, who        Larry Pounds will guide. This tour is limited         e-mail Postpone-
is responsible for ORNL’s natural resources         to 20 participants.                                   ments caused by inclement weather will be
management.                                            Evans will conduct the season’s second             announced on ORNL’s Information Line at
   “This year we’ve added a visit to a field         bird walk from 7 a.m. until 10:30 a.m. Satur-         865-574-9836 two hours before the scheduled
research area to help demonstrate how the           day, May 3, in the northwest area of the reser-       walk.
biological diversity of the reservation pro-        vation along Poplar Creek and vicinity. This             More information is available by calling
vides an important foundation for environ-          will involve another approximately two-mile           Marti Salk at 865-574-7315 (salkms@ornl.
mental research. Also, the invasive species         walk. Participation is limited to 25.                 gov).

6                                                                                                                                             April 2008
Team UT-Battelle volunteers                                                                            New Staff
tackle spring slate of causes                                                                          Members
T    eam UT-Battelle volunteers are gear-
     ing up for the spring season of worthy
                                                  levels are needed. If there is sufficient inter-
                                                  est, custom ORNL bicycling jerseys will
                                                  be ordered. Join Team UT-Battelle in this
                                                                                                       Feng Ye and Michael Agamalian, NScD Neu-
                                                                                                         tron Scattering Science (re-instatement)
   This year’s Anderson-Roane-Loudon              great cause by contacting Bruce Siefken,             Gary Lynn Bogus, Facilities Management
March for Babies is scheduled for 9 a.m.,                                  Henry M. Goranflo III, Nonreactor Nuclear
May 3, at Bissell Park, 1403 Oak Ridge               The Juvenile Diabetes Research Founda-              Facilities
Turnpike, next to the Civic Center (note the      tion will be holding their 5K walk to help           Stuart Alan Martin, Nuclear & Radiological
change in location from Melton Park). Any-        find a cure for diabetes on Saturday, May 10,           Protection
one interested in participating in this year’s    at the World’s Fair Park in downtown Knox-
March for Babies should contact one of the        ville.                                               Gary D. Sandrock and William Hutchison
co-captains: Teressa McKinney, 241-9695              Say this year’s team captains, “This is a           Peter, Materials Science & Technology
( or Teresa Williams,         great event for the whole family. There will         Lindsey Michelle Weesner and Lynn Marie
574-4345 (                     be a special play area for the kids, entertain-        Aaron, Business & Information Services
   Be a hero. Have fun. Ride your bicycle         ment, food and fun. Sign up today to help            Daniel Donavan Hall, NScD Research
to raise funds for the American Diabetes          find a cure for Juvenile Diabetes.”                     Accelerator
Association. Team UT-Battelle is looking for         Sign up to walk, sponsor another walker           Debra Marie Majors, Health Services
bicyclists to ride in the Tour de Cure on Sat-    or just make a donation to this great cause
urday, June 7. Twenty-one million Americans       by contacting a team captain: Kahra Gilley,          James Blake Thompson, University Partner-
suffer from diabetes. This ride raises funds to   576-9611; Nancy Holcombe, 574-1045; LaR-               ships Dir.
help find a cure and help those afflicted with      onda Mack, 576-7270; Roxanne Raschke,                Linda Lee Allen, Chemical Sciences
diabetes. Each rider must raise a minimum of      576-8359; and Sherry Samples, 574-4267.              Patrick Justin Geoghegan and Mark Albert
$150 for the ADA.                                    A group of Team UT-Battelle volunteers              Overbay, NScD Neutron Facilities
   All routes start and end at Farragut High      spent two hours on March 25 cleaning up                Development
School and vary in length from 25 to 100          along Highway 95 during the semiannual
                                                                                                       Jeffrey Dale Hensley and Daniel Ray Moore,
miles. The 25 mile ride is flat, but the longer    Trash Bash. Another Bash is planned for
                                                                                                         Fabrication, Hoisting & Rigging
rides are more challenging. Riders of all         fall.
                                                     Team UT-Battelle coordinator Jeff Sickau          Eriks William Jekabsons, Facilities
                                                  says the crew found all kinds of litter.               Development
Deaths                                               “Our intention was to clean up a section
                                                  of Highway 95 just north of Bethel Valley
                                                                                                       Jason William Roback, Global Security &
                                                  Road,” Jeff says. “We had 11 participants            Morgan David Fuller, Neutron Sciences
                                                  from UT-Battelle pick up about 23 bags of
   Gayle S. Painter, senior member of the         trash, about five bulk items that were too            Sylvain Nintcheu Fata, Computer Science &
Materials Science & Technology Division’s         large such as tires, truck tarps and a large drill     Mathematics (post-doc)
Materials Theory group, died March 26 fol-        bit from a drill rig.”                               Fan Zhang, Environmental Sciences
                   lowing a short illness. He
                   came to ORNL in 1969.
                      “Gayle has always been      Service
                   a scholar and a gentle-
                   man—in the most lauda-         Anniversaries
                   tory sense of this appella-
                   tion. He has had a profound    April 2008                                           25 years: Marion F. Henry, Jr., and
                   influence on the scientific      40 years: Pat M. Love, Energy & Transporta-          Doug Smelcer, Information Technology Ser-
                   directions of the group, the   tion Science                                         vices; Thomas M. Alderson, Laboratory Pro-
                   division and science in gen-   35 years: Don Leland Rhodes, W. Herschel             tection; Joy D. Nix, Global Initiatives Dir.; C.
Painter            eral,” says the group’s Mal-   Brooks, and Rick J. Forbes, Facilities Man-          Gail Lewis, Audit and Oversight Dir.
                   colm Stocks, who noted in      agement; James J. Jernigan, Information
a message to MSTD staff that Gayle “particu-      Technology Services                                  20 years: Letitia H. Lewis, Information
larly enjoyed his recent collaborations with      30 years: Karen P. Simonson, Materials               Technology Services; Sonia L. Lay, Nuclear
experimentalist colleagues,” and that a paper     Science and Technology; Bruce Carl Cran-             Science & Technology; Dale A. Caquelin,
with Gayle’s contributions is currently under     more, Facilities Management; W. Kelly Roy,           Nonreactor Nuclear Facilities; Muriel C.
review in Physical Review Letters.                Environmental Sciences; C. Keith Rice, John          Johnson, NScD Research Accelerator; Brian
                                                  P. Stovall and Norberto Domingo, Energy              Keith Sizemore and Scott D. Taylor, Qual-
  Former Engineering Technology Divison           & Transportation Science; Norty Payne,               ity Systems and Services; Cynthia Glatthaar
Director Herbert Eugene Trammell died             Fabrication, Hoisting & Rigging; Clarence            Heckman, Environmental Sciences; Jeffrey
March 30, in Oak Ridge. After more than a         L. Young, Campus Support & Instrumenta-              D. McNabb, Fabrication, Hoisting & Rig-
decade as a manager at the Oak Ridge Gas-         tion; Robert J. Bruce Warmack, Measurement           ging; Dami Rich, Communications & Exter-
eous Diffusion Plant, including the Advanced      Science & Systems Engr; Darrell Simmons,             nal Relations Dir.; Randy Smith, Campus
Isotope Separation Program, in 1977 he            Nuclear Science & Technology; Vickie G.              Support & Instrumentation
became director of the Engineering Technol-       Langley, Logistical Services
ogy Division at ORNL. Herb retired in 1989.

ORNL Reporter                                                                                                                                       7
                                                 UT-NSF supercomputer, page 1 Teal Sherer, page 1 Wigners, page 2
 INSIDE . . .                                    Lab Notes: SNS tech, Earth Day, secret swatter, page 3 Signficant Event
 No. 98               April 2008                 Awards, page 4 Molecular machine simulation, page 6 Walks, page 6

                                                                                                                                  PRSRT STD
                                                                                                                                  U.S. Postage
       P.O. Box 2008
                                                                                                                                  Permit # 37
       Oak Ridge, TN 37831-6266                                                                                                    Powell, TN

Grid impact studied

Timing is everything when it comes to plug-in hybrids
A    growing number of plug-in hybrid
      electric cars and trucks could require
major new power generation resources or
                                                 There are also technologies such as ‘smart’
                                                 chargers that know the price of power, the
                                                 demands on the system and the time when
                                                                                                   in addition to other variables.
                                                                                                      The report found that the need for added
                                                                                                   generation would be most critical by 2030,
none at all— depending on when people            the car will be needed next to optimize charg-    when hybrids have been on the market for
recharge their automobiles.                      ing for both the owner and the utility that can   some time and become a larger percentage
  A recent ORNL study examined how an            help too.”                                        of the automobiles Americans drive. In the
expected increase in ownership of hybrid           In an analysis of the potential impacts of      worst-case scenario—if all hybrid own-
electric cars and trucks will affect the power   plug-in hybrid electric vehicles projected for    ers charged their vehicles at 5 p.m., at six
grid depending on what time of day or night      2020 and 2030 in 13 regions of the United         kilowatts of power—up to 160 large power
the vehicles are charged.                        States, ORNL researchers explored their           plants would be needed nationwide to supply
  Some assessments of the impact of electric     potential effect on electricity demand, supply,   the extra electricity and the demand would
vehicles assume owners will charge them          infrastructure, prices and associated emission    reduce the reserve power margins for a par-
only at night, says Stan Hadley of ORNL’s        levels. Electricity require-                           ticular region’s system.
Cooling, Heating and Power Technologies          ments for hybrids used a pro-                              The best-case scenario occurs when
Program.                                         jection of 25 percent market                             vehicles are plugged in after 10 p.m.,
                                                                                                         when the electric load on the system
The assumption that electric vehicle owners will only                                                    is at a minimum and the wholesale
                                                                                                          price for energy is least expensive.
recharge at night doesn’t take into account human nature.                                                 Depending on the power demand per
                                                                                                           household, charging vehicles after 10
                                                                                                             p.m. would require, at lower demand
   “That assumption doesn’t necessarily take     penetration of hybrid vehicles                                 levels, no additional power genera-
into account human nature,” says Stan, who       by 2020 including a mixture                                       tion or, in higher-demand pro-
led the study. “Consumers’ inclination will be   of sedans and sport utility                                         jections, just eight additional
to plug in when convenient, rather than when     vehicles. Several scenarios                                         power plants nationwide.—
utilities would prefer. Utilities will need to   were run for each region for the years 2020                         Larisa Brass
create incentives to encourage people to wait.   and 2030 and the times of 5 p.m. or 10 p.m.,

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