MIT News - Machine learning 07月18日 12:05
Model predicts long-term effects of nuclear waste on underground disposal systems
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为解决全球核能复苏带来的核废料处置难题,科学家们正致力于提升公众对地下处置方案的信任。麻省理工学院等机构的研究人员开发了新的高性能计算软件,并通过与瑞士地下研究设施的实验数据对比,验证了其模拟的准确性。该软件能更精确地模拟核废料与地下介质(如水泥和粘土)的相互作用,特别是考虑了粘土矿物带来的静电效应。研究结果显示,模拟数据与实验数据高度吻合,这有助于更准确地预测放射性核素的迁移行为,从而为地下核废料处置的安全评估提供更可靠的依据,并可能影响未来地质处置库材料的选择。

🔬 **核废料处置的挑战与研究进展**:随着全球核能项目重启,核废料的长期处置问题依然严峻。美国一项重要的地下核废料储存库项目已无限期搁置。科学家们正通过建模和实验研究地下核废料处置的影响,以期建立公众信任。MIT等机构的研究表明,新的高性能计算软件模拟结果与瑞士的实验数据高度一致,为理解放射性核素在地下系统的迁移提供了关键进展。

💡 **先进计算软件的突破**:研究团队开发的名为CrunchODiTi的新软件,能够模拟核废料与水泥-粘土屏障之间的相互作用,并首次考虑了三维空间中粘土矿物产生的静电效应。与以往模型不同,该软件能更准确地反映地下环境中材料的复杂混合和随时间变化的物理化学性质,显著提高了模拟的精度。

📊 **实验与模拟的验证**:研究人员将CrunchODiTi软件模拟的核废料与水泥-粘土相互作用结果,与瑞士Mont Terri研究基地的13年实验数据进行了对比。特别是对水泥与粘土界面处的“皮肤”区域进行了详细分析,发现模拟结果与实验数据高度吻合,这表明该软件能够有效捕捉到影响放射性核素迁移的细微尺度现象,增强了对地下处置安全性的信心。

📈 **对未来处置的意义**:这项研究成果对于评估地下地质处置库的安全性和性能至关重要。新的模型可以替代旧模型,为未来核废料地质处置库选择合适的材料(如粘土或盐层)提供科学依据,并能预测放射性核素在数千年甚至数百万年的迁移路径。研究的成功整合了科学、系统和社会多个层面,为解决核废料处置问题提供了有前景的解决方案。

As countries across the world experience a resurgence in nuclear energy projects, the questions of where and how to dispose of nuclear waste remain as politically fraught as ever. The United States, for instance, has indefinitely stalled its only long-term underground nuclear waste repository. Scientists are using both modeling and experimental methods to study the effects of underground nuclear waste disposal and ultimately, they hope, build public trust in the decision-making process.

New research from scientists at MIT, Lawrence Berkeley National Lab, and the University of Orléans makes progress in that direction. The study shows that simulations of underground nuclear waste interactions, generated by new, high-performance-computing software, aligned well with experimental results from a research facility in Switzerland.

The study, which was co-authored by MIT PhD student Dauren Sarsenbayev and Assistant Professor Haruko Wainwright, along with Christophe Tournassat and Carl Steefel, appears in the journal PNAS.

“These powerful new computational tools, coupled with real-world experiments like those at the Mont Terri research site in Switzerland, help us understand how radionuclides will migrate in coupled underground systems,” says Sarsenbayev, who is first author of the new study.

The authors hope the research will improve confidence among policymakers and the public in the long-term safety of underground nuclear waste disposal.

“This research — coupling both computation and experiments — is important to improve our confidence in waste disposal safety assessments,” says Wainwright. “With nuclear energy re-emerging as a key source for tackling climate change and ensuring energy security, it is critical to validate disposal pathways.”

Comparing simulations with experiments

Disposing of nuclear waste in deep underground geological formations is currently considered the safest long-term solution for managing high-level radioactive waste. As such, much effort has been put into studying the migration behaviors of radionuclides from nuclear waste within various natural and engineered geological materials.

Since its founding in 1996, the Mont Terri research site in northern Switzerland has served as an important test bed for an international consortium of researchers interested in studying materials like Opalinus clay — a thick, water-tight claystone abundant in the tunneled areas of the mountain.

“It is widely regarded as one of the most valuable real-world experiment sites because it provides us with decades of datasets around the interactions of cement and clay, and those are the key materials proposed to be used by countries across the world for engineered barrier systems and geological repositories for nuclear waste,” explains Sarsenbayev.

For their study, Sarsenbayev and Wainwright collaborated with co-authors Tournassat and Steefel, who have developed high-performance computing software to improve modeling of interactions between the nuclear waste and both engineered and natural materials.

To date, several challenges have limited scientists’ understanding of how nuclear waste reacts with cement-clay barriers. For one thing, the barriers are made up of irregularly mixed materials deep underground. Additionally, the existing class of models commonly used to simulate radionuclide interactions with cement-clay do not take into account electrostatic effects associated with the negatively charged clay minerals in the barriers.

Tournassat and Steefel’s new software accounts for electrostatic effects, making it the only one that can simulate those interactions in three-dimensional space. The software, called CrunchODiTi, was developed from established software known as CrunchFlow and was most recently updated this year. It is designed to be run on many high-performance computers at once in parallel.

For the study, the researchers looked at a 13-year-old experiment, with an initial focus on cement-clay rock interactions. Within the last several years, a mix of both negatively and positively charged ions were added to the borehole located near the center of the cement emplaced in the formation. The researchers focused on a 1-centimeter-thick zone between the radionuclides and cement-clay referred to as the “skin.” They compared their experimental results to the software simulation, finding the two datasets aligned.

“The results are quite significant because previously, these models wouldn’t fit field data very well,” Sarsenbayev says. “It’s interesting how fine-scale phenomena at the ‘skin’ between cement and clay, the physical and chemical properties of which changes over time, could be used to reconcile the experimental and simulation data.” 

The experimental results showed the model successfully accounted for electrostatic effects associated with the clay-rich formation and the interaction between materials in Mont Terri over time.

“This is all driven by decades of work to understand what happens at these interfaces,” Sarsenbayev says. “It’s been hypothesized that there is mineral precipitation and porosity clogging at this interface, and our results strongly suggest that.”

“This application requires millions of degrees of freedom because these multibarrier systems require high resolution and a lot of computational power,” Sarsenbayev says. “This software is really ideal for the Mont Terri experiment.”

Assessing waste disposal plans

The new model could now replace older models that have been used to conduct safety and performance assessments of underground geological repositories.

“If the U.S. eventually decides to dispose nuclear waste in a geological repository, then these models could dictate the most appropriate materials to use,” Sarsenbayev says. “For instance, right now clay is considered an appropriate storage material, but salt formations are another potential medium that could be used. These models allow us to see the fate of radionuclides over millennia. We can use them to understand interactions at timespans that vary from months to years to many millions of years.”

Sarsenbayev says the model is reasonably accessible to other researchers and that future efforts may focus on the use of machine learning to develop less computationally expensive surrogate models.

Further data from the experiment will be available later this month. The team plans to compare those data to additional simulations.

“Our collaborators will basically get this block of cement and clay, and they’ll be able to run experiments to determine the exact thickness of the skin along with all of the minerals and processes present at this interface,” Sarsenbayev says. “It’s a huge project and it takes time, but we wanted to share initial data and this software as soon as we could.”

For now, the researchers hope their study leads to a long-term solution for storing nuclear waste that policymakers and the public can support.

“This is an interdisciplinary study that includes real world experiments showing we’re able to predict radionuclides’ fate in the subsurface,” Sarsenbayev says. “The motto of MIT’s Department of Nuclear Science and Engineering is ‘Science. Systems. Society.’ I think this merges all three domains.”

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核废料处置 地下研究 高性能计算 放射性核素迁移 科学模拟
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