Becca Barbera, a student from Hamilton, Ontario, is helping Canada and the public understand nuclear energy.
From winning third place at the “Olympics of Science Fairs” to determining the diffusion coefficient of Pu+3 through MX-80 clay, Becca Barbera, a teenager from Hamilton, Ontario, is well on her way to becoming the next Beulah Louise Henry or Stephanie Louise Kwolek.
While competing at the Regeneron International Science and Engineering Fair (ISEF), Barbera went up against over 2,000 young scientists and engineers to win third place with her experiment in nuclear energy.
According to the young engineer, she started her research due to the public’s fear of nuclear power.
Barbera noted, “I was eager to run a simulation that could potentially provide this missing data for the nuclear industry. I began the project in December of 2020 and finished in April 2021. So, it was a very busy three and a half months. I had to do a lot of research pertaining to nuclear energy as a whole and also taught myself molecular dynamics and density functional theory, which is what I used to run my simulations.”
To store its fuel, the Nuclear Wate Management Organization (NWMO) chose the deep geological repository model, which uses both natural and engineered barriers such as MX-80 bentonite-clay buffer/sealant. Thus, began Barbera’s mission to determine the diffusion coefficient of Pu+3 through MX-80 bentonite clay. She also explored the interference of the SR-270-PW brine solution.
Delving into the process, Barbera noted, “A montmorillonite (MMT) unit cell was constructed, then optimized using DMol3 module’s GGA-PBE functional. A Pu+3 ion was optimized following the same process. CLAYFF force field parameters were assigned to each atom, then the structure was replicated to form a 1x2x1 supercell, and the C lattice was extended to 18.8Å. 30 H20 molecules and 2 Na+ ions were inserted, then three preliminary simulations, at temperatures of 100K, 200K and 298K, were performed using Forcite dynamics calculations, NPT ensemble, Andersen thermostat and Berendsen barostat. This was followed by an NVT ensemble at 298K simulation. The Pu+3 was then inserted in place of an H2O, and the interlayer model was reoptimized. To mimic the 6.0M Na-Ca-Cl brine solution (SR-270-PW), the appropriate ions were inserted into the water layer, and the structure was reoptimized. Production simulations were conducted using the Forcite module, NVT ensemble, and Nosé thermostat at 298K.”
After conducting 14 simulations using Materials Studio, Barbera found that the diffusion coefficient of Pu+3 was calculated to be 1.31 ± 0.29 x10-11 m2/s using the Einstein relation. The study provides the NWMO with data to decide the storage location, methods, performance and safety assessments. It will also help protect the public and support zero-emission clean energy production.
When asked about the inspiration behind her project, Barbera said, “The professor that was supervising me specialized in nuclear engineering, which gave me the inspiration to pursue a project in that field. So, upon further research, I learned that several countries are conducting studies to decide upon the location of their first geological repository, which is why they accepted a long-term dry storage method of using nuclear fuel.”
In Canada, the Canadian Nuclear Safety Commission is developing a discussion paper titled “Proposed Amendments to the Class II Nuclear Facilities and Prescribed Equipment Regulations.” The organization will then take public feedback to develop a regulatory proposal for prepublication in 2023.
“Canada is actually scheduled to decide upon their location by 2023. I did more research into that since it was so relevant to today and was interested in the lack of data that I could find pertaining to plutonium without any mention of it having been substituted with chemical analogs, which would cause slight discrepancies. Physical experimentation is so difficult with plutonium because it’s radioactive and also associated with nuclear weapons,” explained Barbera.
Needless to say, Barbera’s work is helping to create a new chapter for nuclear energy. We sat down with the brilliant young scientist to discuss where her interest in STEM began.
“My mother went into engineering. Although [my father’s] a business major, he’s always had an aptitude for physics. So, STEM was something that I was always just exposed to and encouraged to pursue,” said Barbera. “Even as a child, I was always very curious and eager to learn and solve problems. Even now, whenever I’m doing math or chemistry or physics problems, it’s more than just studying, it’s something I really enjoy doing like a hobby.”
To all those who want to follow in Barbera’s footsteps, she advised, “There are a lot of great opportunities out there, so [do] not be afraid to reach out to organizations or individuals who are pursuing a topic that you are interested in. As far as participating in large fairs, I would strongly encourage that they do so. It is a lot of hard work and a big-time commitment, but you really do learn so much and there are so many great opportunities that can come from it.”
