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Commodore Statue photo

Playing with molecules

by David F. Salisbury
CummingsAs a child, Peter Cummings liked nothing better than building things with his erector set, or “meccano” as it was called in Australia. He grew up in Newcastle, an industrial center on the Australian coast 100 miles north of Sydney, where surfing was a varsity sport. But heart surgery when he was 15 kept him from participating in contact sports for several years, including surfing.


That restriction, plus his curiosity about how things work, led him to more intellectual pursuits and his interest in science was sparked by a charismatic physics teacher in high school.


“Because of his influence I decided I was going to be a physics professor, although I had no idea what that meant,” Cummings said.
As a result, he was the first person in his family to go to college. When he enrolled in the University of Newcastle, however, he quickly became bored with the undergraduate physics courses he was required to take.


“Fortunately, the chairman of the math department recruited me,” Cummings recalled. After switching majors, he developed a passion for statistical mechanics, a subject that he pursued when he enrolled in the doctoral program in mathematics at the University of Melbourne. A post doctoral fellowship from the Australian government took him to the physics department at the University of Guelph in Canada. Then a research associate position in chemistry brought him to the State University of New York at Stony Brook to study with George Stell, a leading authority in liquid state statistical physics.


In 1982, he and Stell achieved some notoriety by publishing an analysis pinpointing a number of serious failings in the predominant theory of molecular fluids. To this day, the flaws that they identified have not been corrected so researchers in the field are forced to employ various “work arounds” to make the theory useful.


As he was finishing up time at Stony Brook, the chemical engineering department at the University of Virginia offered him a faculty position. “They were pretty courageous because this was before molecular modeling had proven itself to be one of the ‘key enabling areas’ of chemical engineering research as it has today,” Cummings said.

In 1983, it took several minutes of processing time for his visualization software to produce a single image. Today, because of the tremendous increase in computer power, Cummings can create movies of molecular motions with thousands of frames on an off-the-shelf laptop. Of course, he still uses some of the biggest supercomputers in the world to crunch his toughest simulations.

Because Cummings had moved into an engineering position, he shifted his attention from theoretical to more applied problems. While on sabbatical at Oak Ridge National Laboratory in 1991, for example, he produced a simulation of the molecular structure of supercritical water — water heated beyond its boiling point to very high temperatures and pressures. He credits the joint work he and ORNL scientists did on this simulation with the lab’s decision several years later to offer him a distinguished scientist position.
After he moved to Tennessee, the supercritical water simulation became the center of controversy when a neutron scattering experiment got results that conflicted with its predictions. Follow-up theory and experiments showed that the initial scattering results were wrong and his model’s predictions were accurate after all.

In recent years, Cummings has been concentrating his modeling efforts on various nanoscale projects: nano-composite materials; the action of friction at the nanometer scale; and how fluids act when confined to nanoscale containers. In addition to serving on Vanderbilt’s faculty, he will continue his position as director of the Nanomaterials Theory Institute at ORNL.

“Molecular modelers like myself have been working at the nanoscale for decades, and we’ve had difficulty moving up to larger scales,” Cummings said. “So we’re very glad to see everyone else coming down to our level.”

Posted on 9/23, 2002 at 12:30 p.m.

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Information on new faculty members in the School of Medicine and School of Nursing will be published in the Vanderbilt University Medical Center Reporter. For more information, call 322-4747.

     
       
         
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