In the heart of Russia, at the Institute of High-Temperature Electrochemistry in Yekaterinburg, researchers are delving into the atomic world to revolutionize nuclear energy. Led by Alexander Y. Galashev, a team of scientists is harnessing the power of Density Functional Theory (DFT) to unlock the secrets of actinides, the heavy elements at the core of nuclear fuel. Their work, published in the journal Advanced Energy Materials, is paving the way for a closed nuclear fuel cycle, a game-changer for the energy sector.
The current nuclear fuel cycle is far from efficient. Most nuclear reactors use uranium once and then discard it as waste. But what if we could recycle this spent fuel, extracting every last drop of energy? That’s the promise of a closed fuel cycle, and it’s a goal that’s driving research into advanced nuclear technologies.
Actinides, the heavy elements like uranium and plutonium, are the key to this cycle. But they’re also notoriously difficult to study. “Their 5f electrons give them unique properties, including strong electron correlations and spin-orbit interactions,” explains Galashev. “But their toxicity, radioactivity, and reactivity make experimental study challenging.”
This is where DFT comes in. DFT is a computational quantum mechanical modelling method used in physics, chemistry, and materials science to investigate the electronic structure of many-body systems, particularly atoms, molecules, and the condensed phases. With a Hubbard U-correction, DFT can produce reasonable predictions with minimal computational effort. It’s the only theory that applies to all materials in nuclear technology, from the lightest to the heaviest elements.
Galashev and his team are using DFT to calculate the mechanical, thermal, and magnetic properties of actinides. They’re analyzing the structure of nuclear fuel with high radiation stabilities, and they’re expanding our understanding of the physicochemical properties of spent nuclear fuel. All of this is contributing to the development of technology for its recycling.
The implications for the energy sector are enormous. A closed nuclear fuel cycle could significantly reduce the amount of nuclear waste produced, making nuclear energy a more sustainable option. It could also extract more energy from the same amount of fuel, making nuclear power more efficient and cost-effective.
But the benefits don’t stop there. The insights gained from this research could also inform the development of new nuclear fuels and reactor designs. They could help us understand how to better manage and dispose of nuclear waste. And they could even contribute to the development of advanced nuclear technologies, like fusion power.
So, as Galashev and his team continue their work at the Institute of High-Temperature Electrochemistry, they’re not just studying the atomic world. They’re shaping the future of energy. Their research, published in Advanced Energy Materials, is a testament to the power of computational science and the potential of nuclear energy. It’s a story of innovation, of sustainability, and of the endless possibilities that lie within the atom.