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    Q&A: The climate impact of generative AI

    Vijay Gadepally, a senior staff member at MIT Lincoln Laboratory, leads a number of projects at the Lincoln Laboratory Supercomputing Center (LLSC) to make computing platforms, and the artificial intelligence systems that run on them, more efficient. Here, Gadepally discusses the increasing use of generative AI in everyday tools, its hidden environmental impact, and some of the ways that Lincoln Laboratory and the greater AI community can reduce emissions for a greener future.Q: What trends are you seeing in terms of how generative AI is being used in computing?A: Generative AI uses machine learning (ML) to create new content, like images and text, based on data that is inputted into the ML system. At the LLSC we design and build some of the largest academic computing platforms in the world, and over the past few years we’ve seen an explosion in the number of projects that need access to high-performance computing for generative AI. We’re also seeing how generative AI is changing all sorts of fields and domains — for example, ChatGPT is already influencing the classroom and the workplace faster than regulations can seem to keep up.We can imagine all sorts of uses for generative AI within the next decade or so, like powering highly capable virtual assistants, developing new drugs and materials, and even improving our understanding of basic science. We can’t predict everything that generative AI will be used for, but I can certainly say that with more and more complex algorithms, their compute, energy, and climate impact will continue to grow very quickly.Q: What strategies is the LLSC using to mitigate this climate impact?A: We’re always looking for ways to make computing more efficient, as doing so helps our data center make the most of its resources and allows our scientific colleagues to push their fields forward in as efficient a manner as possible.As one example, we’ve been reducing the amount of power our hardware consumes by making simple changes, similar to dimming or turning off lights when you leave a room. In one experiment, we reduced the energy consumption of a group of graphics processing units by 20 percent to 30 percent, with minimal impact on their performance, by enforcing a power cap. This technique also lowered the hardware operating temperatures, making the GPUs easier to cool and longer lasting.Another strategy is changing our behavior to be more climate-aware. At home, some of us might choose to use renewable energy sources or intelligent scheduling. We are using similar techniques at the LLSC — such as training AI models when temperatures are cooler, or when local grid energy demand is low.We also realized that a lot of the energy spent on computing is often wasted, like how a water leak increases your bill but without any benefits to your home. We developed some new techniques that allow us to monitor computing workloads as they are running and then terminate those that are unlikely to yield good results. Surprisingly, in a number of cases we found that the majority of computations could be terminated early without compromising the end result.Q: What’s an example of a project you’ve done that reduces the energy output of a generative AI program?A: We recently built a climate-aware computer vision tool. Computer vision is a domain that’s focused on applying AI to images; so, differentiating between cats and dogs in an image, correctly labeling objects within an image, or looking for components of interest within an image.In our tool, we included real-time carbon telemetry, which produces information about how much carbon is being emitted by our local grid as a model is running. Depending on this information, our system will automatically switch to a more energy-efficient version of the model, which typically has fewer parameters, in times of high carbon intensity, or a much higher-fidelity version of the model in times of low carbon intensity.By doing this, we saw a nearly 80 percent reduction in carbon emissions over a one- to two-day period. We recently extended this idea to other generative AI tasks such as text summarization and found the same results. Interestingly, the performance sometimes improved after using our technique!Q: What can we do as consumers of generative AI to help mitigate its climate impact?A: As consumers, we can ask our AI providers to offer greater transparency. For example, on Google Flights, I can see a variety of options that indicate a specific flight’s carbon footprint. We should be getting similar kinds of measurements from generative AI tools so that we can make a conscious decision on which product or platform to use based on our priorities.We can also make an effort to be more educated on generative AI emissions in general. Many of us are familiar with vehicle emissions, and it can help to talk about generative AI emissions in comparative terms. People may be surprised to know, for example, that one image-generation task is roughly equivalent to driving four miles in a gas car, or that it takes the same amount of energy to charge an electric car as it does to generate about 1,500 text summarizations.There are many cases where customers would be happy to make a trade-off if they knew the trade-off’s impact.Q: What do you see for the future?A: Mitigating the climate impact of generative AI is one of those problems that people all over the world are working on, and with a similar goal. We’re doing a lot of work here at Lincoln Laboratory, but its only scratching at the surface. In the long term, data centers, AI developers, and energy grids will need to work together to provide “energy audits” to uncover other unique ways that we can improve computing efficiencies. We need more partnerships and more collaboration in order to forge ahead.If you’re interested in learning more, or collaborating with Lincoln Laboratory on these efforts, please contact Vijay Gadepally.

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    Unlocking the hidden power of boiling — for energy, space, and beyond

    Most people take boiling water for granted. For Associate Professor Matteo Bucci, uncovering the physics behind boiling has been a decade-long journey filled with unexpected challenges and new insights.The seemingly simple phenomenon is extremely hard to study in complex systems like nuclear reactors, and yet it sits at the core of a wide range of important industrial processes. Unlocking its secrets could thus enable advances in efficient energy production, electronics cooling, water desalination, medical diagnostics, and more.“Boiling is important for applications way beyond nuclear,” says Bucci, who earned tenure at MIT in July. “Boiling is used in 80 percent of the power plants that produce electricity. My research has implications for space propulsion, energy storage, electronics, and the increasingly important task of cooling computers.”Bucci’s lab has developed new experimental techniques to shed light on a wide range of boiling and heat transfer phenomena that have limited energy projects for decades. Chief among those is a problem caused by bubbles forming so quickly they create a band of vapor across a surface that prevents further heat transfer. In 2023, Bucci and collaborators developed a unifying principle governing the problem, known as the boiling crisis, which could enable more efficient nuclear reactors and prevent catastrophic failures.For Bucci, each bout of progress brings new possibilities — and new questions to answer.“What’s the best paper?” Bucci asks. “The best paper is the next one. I think Alfred Hitchcock used to say it doesn’t matter how good your last movie was. If your next one is poor, people won’t remember it. I always tell my students that our next paper should always be better than the last. It’s a continuous journey of improvement.”From engineering to bubblesThe Italian village where Bucci grew up had a population of about 1,000 during his childhood. He gained mechanical skills by working in his father’s machine shop and by taking apart and reassembling appliances like washing machines and air conditioners to see what was inside. He also gained a passion for cycling, competing in the sport until he attended the University of Pisa for undergraduate and graduate studies.In college, Bucci was fascinated with matter and the origins of life, but he also liked building things, so when it came time to pick between physics and engineering, he decided nuclear engineering was a good middle ground.“I have a passion for construction and for understanding how things are made,” Bucci says. “Nuclear engineering was a very unlikely but obvious choice. It was unlikely because in Italy, nuclear was already out of the energy landscape, so there were very few of us. At the same time, there were a combination of intellectual and practical challenges, which is what I like.”For his PhD, Bucci went to France, where he met his wife, and went on to work at a French national lab. One day his department head asked him to work on a problem in nuclear reactor safety known as transient boiling. To solve it, he wanted to use a method for making measurements pioneered by MIT Professor Jacopo Buongiorno, so he received grant money to become a visiting scientist at MIT in 2013. He’s been studying boiling at MIT ever since.Today Bucci’s lab is developing new diagnostic techniques to study boiling and heat transfer along with new materials and coatings that could make heat transfer more efficient. The work has given researchers an unprecedented view into the conditions inside a nuclear reactor.“The diagnostics we’ve developed can collect the equivalent of 20 years of experimental work in a one-day experiment,” Bucci says.That data, in turn, led Bucci to a remarkably simple model describing the boiling crisis.“The effectiveness of the boiling process on the surface of nuclear reactor cladding determines the efficiency and the safety of the reactor,” Bucci explains. “It’s like a car that you want to accelerate, but there is an upper limit. For a nuclear reactor, that upper limit is dictated by boiling heat transfer, so we are interested in understanding what that upper limit is and how we can overcome it to enhance the reactor performance.”Another particularly impactful area of research for Bucci is two-phase immersion cooling, a process wherein hot server parts bring liquid to boil, then the resulting vapor condenses on a heat exchanger above to create a constant, passive cycle of cooling.“It keeps chips cold with minimal waste of energy, significantly reducing the electricity consumption and carbon dioxide emissions of data centers,” Bucci explains. “Data centers emit as much CO2 as the entire aviation industry. By 2040, they will account for over 10 percent of emissions.”Supporting studentsBucci says working with students is the most rewarding part of his job. “They have such great passion and competence. It’s motivating to work with people who have the same passion as you.”“My students have no fear to explore new ideas,” Bucci adds. “They almost never stop in front of an obstacle — sometimes to the point where you have to slow them down and put them back on track.”In running the Red Lab in the Department of Nuclear Science and Engineering, Bucci tries to give students independence as well as support.“We’re not educating students, we’re educating future researchers,” Bucci says. “I think the most important part of our work is to not only provide the tools, but also to give the confidence and the self-starting attitude to fix problems. That can be business problems, problems with experiments, problems with your lab mates.”Some of the more unique experiments Bucci’s students do require them to gather measurements while free falling in an airplane to achieve zero gravity.“Space research is the big fantasy of all the kids,” says Bucci, who joins students in the experiments about twice a year. “It’s very fun and inspiring research for students. Zero g gives you a new perspective on life.”Applying AIBucci is also excited about incorporating artificial intelligence into his field. In 2023, he was a co-recipient of a multi-university research initiative (MURI) project in thermal science dedicated solely to machine learning. In a nod to the promise AI holds in his field, Bucci also recently founded a journal called AI Thermal Fluids to feature AI-driven research advances.“Our community doesn’t have a home for people that want to develop machine-learning techniques,” Bucci says. “We wanted to create an avenue for people in computer science and thermal science to work together to make progress. I think we really need to bring computer scientists into our community to speed this process up.”Bucci also believes AI can be used to process huge reams of data gathered using the new experimental techniques he’s developed as well as to model phenomena researchers can’t yet study.“It’s possible that AI will give us the opportunity to understand things that cannot be observed, or at least guide us in the dark as we try to find the root causes of many problems,” Bucci says. More

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    New AI tool generates realistic satellite images of future flooding

    Visualizing the potential impacts of a hurricane on people’s homes before it hits can help residents prepare and decide whether to evacuate.MIT scientists have developed a method that generates satellite imagery from the future to depict how a region would look after a potential flooding event. The method combines a generative artificial intelligence model with a physics-based flood model to create realistic, birds-eye-view images of a region, showing where flooding is likely to occur given the strength of an oncoming storm.As a test case, the team applied the method to Houston and generated satellite images depicting what certain locations around the city would look like after a storm comparable to Hurricane Harvey, which hit the region in 2017. The team compared these generated images with actual satellite images taken of the same regions after Harvey hit. They also compared AI-generated images that did not include a physics-based flood model.The team’s physics-reinforced method generated satellite images of future flooding that were more realistic and accurate. The AI-only method, in contrast, generated images of flooding in places where flooding is not physically possible.The team’s method is a proof-of-concept, meant to demonstrate a case in which generative AI models can generate realistic, trustworthy content when paired with a physics-based model. In order to apply the method to other regions to depict flooding from future storms, it will need to be trained on many more satellite images to learn how flooding would look in other regions.“The idea is: One day, we could use this before a hurricane, where it provides an additional visualization layer for the public,” says Björn Lütjens, a postdoc in MIT’s Department of Earth, Atmospheric and Planetary Sciences, who led the research while he was a doctoral student in MIT’s Department of Aeronautics and Astronautics (AeroAstro). “One of the biggest challenges is encouraging people to evacuate when they are at risk. Maybe this could be another visualization to help increase that readiness.”To illustrate the potential of the new method, which they have dubbed the “Earth Intelligence Engine,” the team has made it available as an online resource for others to try.The researchers report their results today in the journal IEEE Transactions on Geoscience and Remote Sensing. The study’s MIT co-authors include Brandon Leshchinskiy; Aruna Sankaranarayanan; and Dava Newman, professor of AeroAstro and director of the MIT Media Lab; along with collaborators from multiple institutions.Generative adversarial imagesThe new study is an extension of the team’s efforts to apply generative AI tools to visualize future climate scenarios.“Providing a hyper-local perspective of climate seems to be the most effective way to communicate our scientific results,” says Newman, the study’s senior author. “People relate to their own zip code, their local environment where their family and friends live. Providing local climate simulations becomes intuitive, personal, and relatable.”For this study, the authors use a conditional generative adversarial network, or GAN, a type of machine learning method that can generate realistic images using two competing, or “adversarial,” neural networks. The first “generator” network is trained on pairs of real data, such as satellite images before and after a hurricane. The second “discriminator” network is then trained to distinguish between the real satellite imagery and the one synthesized by the first network.Each network automatically improves its performance based on feedback from the other network. The idea, then, is that such an adversarial push and pull should ultimately produce synthetic images that are indistinguishable from the real thing. Nevertheless, GANs can still produce “hallucinations,” or factually incorrect features in an otherwise realistic image that shouldn’t be there.“Hallucinations can mislead viewers,” says Lütjens, who began to wonder whether such hallucinations could be avoided, such that generative AI tools can be trusted to help inform people, particularly in risk-sensitive scenarios. “We were thinking: How can we use these generative AI models in a climate-impact setting, where having trusted data sources is so important?”Flood hallucinationsIn their new work, the researchers considered a risk-sensitive scenario in which generative AI is tasked with creating satellite images of future flooding that could be trustworthy enough to inform decisions of how to prepare and potentially evacuate people out of harm’s way.Typically, policymakers can get an idea of where flooding might occur based on visualizations in the form of color-coded maps. These maps are the final product of a pipeline of physical models that usually begins with a hurricane track model, which then feeds into a wind model that simulates the pattern and strength of winds over a local region. This is combined with a flood or storm surge model that forecasts how wind might push any nearby body of water onto land. A hydraulic model then maps out where flooding will occur based on the local flood infrastructure and generates a visual, color-coded map of flood elevations over a particular region.“The question is: Can visualizations of satellite imagery add another level to this, that is a bit more tangible and emotionally engaging than a color-coded map of reds, yellows, and blues, while still being trustworthy?” Lütjens says.The team first tested how generative AI alone would produce satellite images of future flooding. They trained a GAN on actual satellite images taken by satellites as they passed over Houston before and after Hurricane Harvey. When they tasked the generator to produce new flood images of the same regions, they found that the images resembled typical satellite imagery, but a closer look revealed hallucinations in some images, in the form of floods where flooding should not be possible (for instance, in locations at higher elevation).To reduce hallucinations and increase the trustworthiness of the AI-generated images, the team paired the GAN with a physics-based flood model that incorporates real, physical parameters and phenomena, such as an approaching hurricane’s trajectory, storm surge, and flood patterns. With this physics-reinforced method, the team generated satellite images around Houston that depict the same flood extent, pixel by pixel, as forecasted by the flood model.“We show a tangible way to combine machine learning with physics for a use case that’s risk-sensitive, which requires us to analyze the complexity of Earth’s systems and project future actions and possible scenarios to keep people out of harm’s way,” Newman says. “We can’t wait to get our generative AI tools into the hands of decision-makers at the local community level, which could make a significant difference and perhaps save lives.”The research was supported, in part, by the MIT Portugal Program, the DAF-MIT Artificial Intelligence Accelerator, NASA, and Google Cloud. 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    Nanoscale transistors could enable more efficient electronics

    Silicon transistors, which are used to amplify and switch signals, are a critical component in most electronic devices, from smartphones to automobiles. But silicon semiconductor technology is held back by a fundamental physical limit that prevents transistors from operating below a certain voltage.This limit, known as “Boltzmann tyranny,” hinders the energy efficiency of computers and other electronics, especially with the rapid development of artificial intelligence technologies that demand faster computation.In an effort to overcome this fundamental limit of silicon, MIT researchers fabricated a different type of three-dimensional transistor using a unique set of ultrathin semiconductor materials.Their devices, featuring vertical nanowires only a few nanometers wide, can deliver performance comparable to state-of-the-art silicon transistors while operating efficiently at much lower voltages than conventional devices.“This is a technology with the potential to replace silicon, so you could use it with all the functions that silicon currently has, but with much better energy efficiency,” says Yanjie Shao, an MIT postdoc and lead author of a paper on the new transistors.The transistors leverage quantum mechanical properties to simultaneously achieve low-voltage operation and high performance within an area of just a few square nanometers. Their extremely small size would enable more of these 3D transistors to be packed onto a computer chip, resulting in fast, powerful electronics that are also more energy-efficient.“With conventional physics, there is only so far you can go. The work of Yanjie shows that we can do better than that, but we have to use different physics. There are many challenges yet to be overcome for this approach to be commercial in the future, but conceptually, it really is a breakthrough,” says senior author Jesús del Alamo, the Donner Professor of Engineering in the MIT Department of Electrical Engineering and Computer Science (EECS).They are joined on the paper by Ju Li, the Tokyo Electric Power Company Professor in Nuclear Engineering and professor of materials science and engineering at MIT; EECS graduate student Hao Tang; MIT postdoc Baoming Wang; and professors Marco Pala and David Esseni of the University of Udine in Italy. The research appears today in Nature Electronics.Surpassing siliconIn electronic devices, silicon transistors often operate as switches. Applying a voltage to the transistor causes electrons to move over an energy barrier from one side to the other, switching the transistor from “off” to “on.” By switching, transistors represent binary digits to perform computation.A transistor’s switching slope reflects the sharpness of the “off” to “on” transition. The steeper the slope, the less voltage is needed to turn on the transistor and the greater its energy efficiency.But because of how electrons move across an energy barrier, Boltzmann tyranny requires a certain minimum voltage to switch the transistor at room temperature.To overcome the physical limit of silicon, the MIT researchers used a different set of semiconductor materials — gallium antimonide and indium arsenide — and designed their devices to leverage a unique phenomenon in quantum mechanics called quantum tunneling.Quantum tunneling is the ability of electrons to penetrate barriers. The researchers fabricated tunneling transistors, which leverage this property to encourage electrons to push through the energy barrier rather than going over it.“Now, you can turn the device on and off very easily,” Shao says.But while tunneling transistors can enable sharp switching slopes, they typically operate with low current, which hampers the performance of an electronic device. Higher current is necessary to create powerful transistor switches for demanding applications.Fine-grained fabricationUsing tools at MIT.nano, MIT’s state-of-the-art facility for nanoscale research, the engineers were able to carefully control the 3D geometry of their transistors, creating vertical nanowire heterostructures with a diameter of only 6 nanometers. They believe these are the smallest 3D transistors reported to date.Such precise engineering enabled them to achieve a sharp switching slope and high current simultaneously. This is possible because of a phenomenon called quantum confinement.Quantum confinement occurs when an electron is confined to a space that is so small that it can’t move around. When this happens, the effective mass of the electron and the properties of the material change, enabling stronger tunneling of the electron through a barrier.Because the transistors are so small, the researchers can engineer a very strong quantum confinement effect while also fabricating an extremely thin barrier.“We have a lot of flexibility to design these material heterostructures so we can achieve a very thin tunneling barrier, which enables us to get very high current,” Shao says.Precisely fabricating devices that were small enough to accomplish this was a major challenge.“We are really into single-nanometer dimensions with this work. Very few groups in the world can make good transistors in that range. Yanjie is extraordinarily capable to craft such well-functioning transistors that are so extremely small,” says del Alamo.When the researchers tested their devices, the sharpness of the switching slope was below the fundamental limit that can be achieved with conventional silicon transistors. Their devices also performed about 20 times better than similar tunneling transistors.“This is the first time we have been able to achieve such sharp switching steepness with this design,” Shao adds.The researchers are now striving to enhance their fabrication methods to make transistors more uniform across an entire chip. With such small devices, even a 1-nanometer variance can change the behavior of the electrons and affect device operation. They are also exploring vertical fin-shaped structures, in addition to vertical nanowire transistors, which could potentially improve the uniformity of devices on a chip.“This work definitively steps in the right direction, significantly improving the broken-gap tunnel field effect transistor (TFET) performance. It demonstrates steep-slope together with a record drive-current. It highlights the importance of small dimensions, extreme confinement, and low-defectivity materials and interfaces in the fabricated broken-gap TFET. These features have been realized through a well-mastered and nanometer-size-controlled process,” says Aryan Afzalian, a principal member of the technical staff at the nanoelectronics research organization imec, who was not involved with this work.This research is funded, in part, by Intel Corporation. More

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    Bubble findings could unlock better electrode and electrolyzer designs

    Industrial electrochemical processes that use electrodes to produce fuels and chemical products are hampered by the formation of bubbles that block parts of the electrode surface, reducing the area available for the active reaction. Such blockage reduces the performance of the electrodes by anywhere from 10 to 25 percent.But new research reveals a decades-long misunderstanding about the extent of that interference. The findings show exactly how the blocking effect works and could lead to new ways of designing electrode surfaces to minimize inefficiencies in these widely used electrochemical processes.It has long been assumed that the entire area of the electrode shadowed by each bubble would be effectively inactivated. But it turns out that a much smaller area — roughly the area where the bubble actually contacts the surface — is blocked from its electrochemical activity. The new insights could lead directly to new ways of patterning the surfaces to minimize the contact area and improve overall efficiency.The findings are reported today in the journal Nanoscale, in a paper by recent MIT graduate Jack Lake PhD ’23, graduate student Simon Rufer, professor of mechanical engineering Kripa Varanasi, research scientist Ben Blaiszik, and six others at the University of Chicago and Argonne National Laboratory. The team has made available an open-source, AI-based software tool that engineers and scientists can now use to automatically recognize and quantify bubbles formed on a given surface, as a first step toward controlling the electrode material’s properties.

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    Gas-evolving electrodes, often with catalytic surfaces that promote chemical reactions, are used in a wide variety of processes, including the production of “green” hydrogen without the use of fossil fuels, carbon-capture processes that can reduce greenhouse gas emissions, aluminum production, and the chlor-alkali process that is used to make widely used chemical products.These are very widespread processes. The chlor-alkali process alone accounts for 2 percent of all U.S. electricity usage; aluminum production accounts for 3 percent of global electricity; and both carbon capture and hydrogen production are likely to grow rapidly in coming years as the world strives to meet greenhouse-gas reduction targets. So, the new findings could make a real difference, Varanasi says.“Our work demonstrates that engineering the contact and growth of bubbles on electrodes can have dramatic effects” on how bubbles form and how they leave the surface, he says. “The knowledge that the area under bubbles can be significantly active ushers in a new set of design rules for high-performance electrodes to avoid the deleterious effects of bubbles.”“The broader literature built over the last couple of decades has suggested that not only that small area of contact but the entire area under the bubble is passivated,” Rufer says. The new study reveals “a significant difference between the two models because it changes how you would develop and design an electrode to minimize these losses.”To test and demonstrate the implications of this effect, the team produced different versions of electrode surfaces with patterns of dots that nucleated and trapped bubbles at different sizes and spacings. They were able to show that surfaces with widely spaced dots promoted large bubble sizes but only tiny areas of surface contact, which helped to make clear the difference between the expected and actual effects of bubble coverage.Developing the software to detect and quantify bubble formation was necessary for the team’s analysis, Rufer explains. “We wanted to collect a lot of data and look at a lot of different electrodes and different reactions and different bubbles, and they all look slightly different,” he says. Creating a program that could deal with different materials and different lighting and reliably identify and track the bubbles was a tricky process, and machine learning was key to making it work, he says.Using that tool, he says, they were able to collect “really significant amounts of data about the bubbles on a surface, where they are, how big they are, how fast they’re growing, all these different things.” The tool is now freely available for anyone to use via the GitHub repository.By using that tool to correlate the visual measures of bubble formation and evolution with electrical measurements of the electrode’s performance, the researchers were able to disprove the accepted theory and to show that only the area of direct contact is affected. Videos further proved the point, revealing new bubbles actively evolving directly under parts of a larger bubble.The researchers developed a very general methodology that can be applied to characterize and understand the impact of bubbles on any electrode or catalyst surface. They were able to quantify the bubble passivation effects in a new performance metric they call BECSA (Bubble-induced electrochemically active surface), as opposed to ECSA (electrochemically active surface area), that is used in the field. “The BECSA metric was a concept we defined in an earlier study but did not have an effective method to estimate until this work,” says Varanasi.The knowledge that the area under bubbles can be significantly active ushers in a new set of design rules for high-performance electrodes. This means that electrode designers should seek to minimize bubble contact area rather than simply bubble coverage, which can be achieved by controlling the morphology and chemistry of the electrodes. Surfaces engineered to control bubbles can not only improve the overall efficiency of the processes and thus reduce energy use, they can also save on upfront materials costs. Many of these gas-evolving electrodes are coated with catalysts made of expensive metals like platinum or iridium, and the findings from this work can be used to engineer electrodes to reduce material wasted by reaction-blocking bubbles.Varanasi says that “the insights from this work could inspire new electrode architectures that not only reduce the usage of precious materials, but also improve the overall electrolyzer performance,” both of which would provide large-scale environmental benefits.The research team included Jim James, Nathan Pruyne, Aristana Scourtas, Marcus Schwarting, Aadit Ambalkar, Ian Foster, and Ben Blaiszik at the University of Chicago and Argonne National Laboratory. The work was supported by the U.S. Department of Energy under the ARPA-E program. More

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    Proton-conducting materials could enable new green energy technologies

    As the name suggests, most electronic devices today work through the movement of electrons. But materials that can efficiently conduct protons — the nucleus of the hydrogen atom — could be key to a number of important technologies for combating global climate change.Most proton-conducting inorganic materials available now require undesirably high temperatures to achieve sufficiently high conductivity. However, lower-temperature alternatives could enable a variety of technologies, such as more efficient and durable fuel cells to produce clean electricity from hydrogen, electrolyzers to make clean fuels such as hydrogen for transportation, solid-state proton batteries, and even new kinds of computing devices based on iono-electronic effects.In order to advance the development of proton conductors, MIT engineers have identified certain traits of materials that give rise to fast proton conduction. Using those traits quantitatively, the team identified a half-dozen new candidates that show promise as fast proton conductors. Simulations suggest these candidates will perform far better than existing materials, although they still need to be conformed experimentally. In addition to uncovering potential new materials, the research also provides a deeper understanding at the atomic level of how such materials work.The new findings are described in the journal Energy and Environmental Sciences, in a paper by MIT professors Bilge Yildiz and Ju Li, postdocs Pjotrs Zguns and Konstantin Klyukin, and their collaborator Sossina Haile and her students from Northwestern University. Yildiz is the Breene M. Kerr Professor in the departments of Nuclear Science and Engineering, and Materials Science and Engineering.“Proton conductors are needed in clean energy conversion applications such as fuel cells, where we use hydrogen to produce carbon dioxide-free electricity,” Yildiz explains. “We want to do this process efficiently, and therefore we need materials that can transport protons very fast through such devices.”Present methods of producing hydrogen, for example steam methane reforming, emit a great deal of carbon dioxide. “One way to eliminate that is to electrochemically produce hydrogen from water vapor, and that needs very good proton conductors,” Yildiz says. Production of other important industrial chemicals and potential fuels, such as ammonia, can also be carried out through efficient electrochemical systems that require good proton conductors.But most inorganic materials that conduct protons can only operate at temperatures of 200 to 600 degrees Celsius (roughly 450 to 1,100 Fahrenheit), or even higher. Such temperatures require energy to maintain and can cause degradation of materials. “Going to higher temperatures is not desirable because that makes the whole system more challenging, and the material durability becomes an issue,” Yildiz says. “There is no good inorganic proton conductor at room temperature.” Today, the only known room-temperature proton conductor is a polymeric material that is not practical for applications in computing devices because it can’t easily be scaled down to the nanometer regime, she says.To tackle the problem, the team first needed to develop a basic and quantitative understanding of exactly how proton conduction works, taking a class of inorganic proton conductors, called solid acids. “One has to first understand what governs proton conduction in these inorganic compounds,” she says. While looking at the materials’ atomic configurations, the researchers identified a pair of characteristics that directly relates to the materials’ proton-carrying potential.As Yildiz explains, proton conduction first involves a proton “hopping from a donor oxygen atom to an acceptor oxygen. And then the environment has to reorganize and take the accepted proton away, so that it can hop to another neighboring acceptor, enabling long-range proton diffusion.” This process happens in many inorganic solids, she says. Figuring out how that last part works — how the atomic lattice gets reorganized to take the accepted proton away from the original donor atom — was a key part of this research, she says.The researchers used computer simulations to study a class of materials called solid acids that become good proton conductors above 200 degrees Celsius. This class of materials has a substructure called the polyanion group sublattice, and these groups have to rotate and take the proton away from its original site so it can then transfer to other sites. The researchers were able to identify the phonons that contribute to the flexibility of this sublattice, which is essential for proton conduction. Then they used this information to comb through vast databases of theoretically and experimentally possible compounds, in search of better proton conducting materials.As a result, they found solid acid compounds that are promising proton conductors and that have been developed and produced for a variety of different applications but never before studied as proton conductors; these compounds turned out to have just the right characteristics of lattice flexibility. The team then carried out computer simulations of how the specific materials they identified in their initial screening would perform under relevant temperatures, to confirm their suitability as proton conductors for fuel cells or other uses. Sure enough, they found six promising materials, with predicted proton conduction speeds faster than the best existing solid acid proton conductors.“There are uncertainties in these simulations,” Yildiz cautions. “I don’t want to say exactly how much higher the conductivity will be, but these look very promising. Hopefully this motivates the experimental field to try to synthesize them in different forms and make use of these compounds as proton conductors.”Translating these theoretical findings into practical devices could take some years, she says. The likely first applications would be for electrochemical cells to produce fuels and chemical feedstocks such as hydrogen and ammonia, she says.The work was supported by the U.S. Department of Energy, the Wallenberg Foundation, and the U.S. National Science Foundation. More

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    AI method radically speeds predictions of materials’ thermal properties

    It is estimated that about 70 percent of the energy generated worldwide ends up as waste heat.If scientists could better predict how heat moves through semiconductors and insulators, they could design more efficient power generation systems. However, the thermal properties of materials can be exceedingly difficult to model.The trouble comes from phonons, which are subatomic particles that carry heat. Some of a material’s thermal properties depend on a measurement called the phonon dispersion relation, which can be incredibly hard to obtain, let alone utilize in the design of a system.A team of researchers from MIT and elsewhere tackled this challenge by rethinking the problem from the ground up. The result of their work is a new machine-learning framework that can predict phonon dispersion relations up to 1,000 times faster than other AI-based techniques, with comparable or even better accuracy. Compared to more traditional, non-AI-based approaches, it could be 1 million times faster.This method could help engineers design energy generation systems that produce more power, more efficiently. It could also be used to develop more efficient microelectronics, since managing heat remains a major bottleneck to speeding up electronics.“Phonons are the culprit for the thermal loss, yet obtaining their properties is notoriously challenging, either computationally or experimentally,” says Mingda Li, associate professor of nuclear science and engineering and senior author of a paper on this technique.Li is joined on the paper by co-lead authors Ryotaro Okabe, a chemistry graduate student; and Abhijatmedhi Chotrattanapituk, an electrical engineering and computer science graduate student; Tommi Jaakkola, the Thomas Siebel Professor of Electrical Engineering and Computer Science at MIT; as well as others at MIT, Argonne National Laboratory, Harvard University, the University of South Carolina, Emory University, the University of California at Santa Barbara, and Oak Ridge National Laboratory. The research appears in Nature Computational Science.Predicting phononsHeat-carrying phonons are tricky to predict because they have an extremely wide frequency range, and the particles interact and travel at different speeds.A material’s phonon dispersion relation is the relationship between energy and momentum of phonons in its crystal structure. For years, researchers have tried to predict phonon dispersion relations using machine learning, but there are so many high-precision calculations involved that models get bogged down.“If you have 100 CPUs and a few weeks, you could probably calculate the phonon dispersion relation for one material. The whole community really wants a more efficient way to do this,” says Okabe.The machine-learning models scientists often use for these calculations are known as graph neural networks (GNN). A GNN converts a material’s atomic structure into a crystal graph comprising multiple nodes, which represent atoms, connected by edges, which represent the interatomic bonding between atoms.While GNNs work well for calculating many quantities, like magnetization or electrical polarization, they are not flexible enough to efficiently predict an extremely high-dimensional quantity like the phonon dispersion relation. Because phonons can travel around atoms on X, Y, and Z axes, their momentum space is hard to model with a fixed graph structure.To gain the flexibility they needed, Li and his collaborators devised virtual nodes.They create what they call a virtual node graph neural network (VGNN) by adding a series of flexible virtual nodes to the fixed crystal structure to represent phonons. The virtual nodes enable the output of the neural network to vary in size, so it is not restricted by the fixed crystal structure.Virtual nodes are connected to the graph in such a way that they can only receive messages from real nodes. While virtual nodes will be updated as the model updates real nodes during computation, they do not affect the accuracy of the model.“The way we do this is very efficient in coding. You just generate a few more nodes in your GNN. The physical location doesn’t matter, and the real nodes don’t even know the virtual nodes are there,” says Chotrattanapituk.Cutting out complexitySince it has virtual nodes to represent phonons, the VGNN can skip many complex calculations when estimating phonon dispersion relations, which makes the method more efficient than a standard GNN. The researchers proposed three different versions of VGNNs with increasing complexity. Each can be used to predict phonons directly from a material’s atomic coordinates.Because their approach has the flexibility to rapidly model high-dimensional properties, they can use it to estimate phonon dispersion relations in alloy systems. These complex combinations of metals and nonmetals are especially challenging for traditional approaches to model.The researchers also found that VGNNs offered slightly greater accuracy when predicting a material’s heat capacity. In some instances, prediction errors were two orders of magnitude lower with their technique.A VGNN could be used to calculate phonon dispersion relations for a few thousand materials in just a few seconds with a personal computer, Li says.This efficiency could enable scientists to search a larger space when seeking materials with certain thermal properties, such as superior thermal storage, energy conversion, or superconductivity.Moreover, the virtual node technique is not exclusive to phonons, and could also be used to predict challenging optical and magnetic properties.In the future, the researchers want to refine the technique so virtual nodes have greater sensitivity to capture small changes that can affect phonon structure.“Researchers got too comfortable using graph nodes to represent atoms, but we can rethink that. Graph nodes can be anything. And virtual nodes are a very generic approach you could use to predict a lot of high-dimensional quantities,” Li says.“The authors’ innovative approach significantly augments the graph neural network description of solids by incorporating key physics-informed elements through virtual nodes, for instance, informing wave-vector dependent band-structures and dynamical matrices,” says Olivier Delaire, associate professor in the Thomas Lord Department of Mechanical Engineering and Materials Science at Duke University, who was not involved with this work. “I find that the level of acceleration in predicting complex phonon properties is amazing, several orders of magnitude faster than a state-of-the-art universal machine-learning interatomic potential. Impressively, the advanced neural net captures fine features and obeys physical rules. There is great potential to expand the model to describe other important material properties: Electronic, optical, and magnetic spectra and band structures come to mind.”This work is supported by the U.S. Department of Energy, National Science Foundation, a Mathworks Fellowship, a Sow-Hsin Chen Fellowship, the Harvard Quantum Initiative, and the Oak Ridge National Laboratory. More

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    “They can see themselves shaping the world they live in”

    During the journey from the suburbs to the city, the tree canopy often dwindles down as skyscrapers rise up. A group of New England Innovation Academy students wondered why that is.“Our friend Victoria noticed that where we live in Marlborough there are lots of trees in our own backyards. But if you drive just 30 minutes to Boston, there are almost no trees,” said high school junior Ileana Fournier. “We were struck by that duality.”This inspired Fournier and her classmates Victoria Leeth and Jessie Magenyi to prototype a mobile app that illustrates Massachusetts deforestation trends for Day of AI, a free, hands-on curriculum developed by the MIT Responsible AI for Social Empowerment and Education (RAISE) initiative, headquartered in the MIT Media Lab and in collaboration with the MIT Schwarzman College of Computing and MIT Open Learning. They were among a group of 20 students from New England Innovation Academy who shared their projects during the 2024 Day of AI global celebration hosted with the Museum of Science.The Day of AI curriculum introduces K-12 students to artificial intelligence. Now in its third year, Day of AI enables students to improve their communities and collaborate on larger global challenges using AI. Fournier, Leeth, and Magenyi’s TreeSavers app falls under the Telling Climate Stories with Data module, one of four new climate-change-focused lessons.“We want you to be able to express yourselves creatively to use AI to solve problems with critical-thinking skills,” Cynthia Breazeal, director of MIT RAISE, dean for digital learning at MIT Open Learning, and professor of media arts and sciences, said during this year’s Day of AI global celebration at the Museum of Science. “We want you to have an ethical and responsible way to think about this really powerful, cool, and exciting technology.”Moving from understanding to actionDay of AI invites students to examine the intersection of AI and various disciplines, such as history, civics, computer science, math, and climate change. With the curriculum available year-round, more than 10,000 educators across 114 countries have brought Day of AI activities to their classrooms and homes.The curriculum gives students the agency to evaluate local issues and invent meaningful solutions. “We’re thinking about how to create tools that will allow kids to have direct access to data and have a personal connection that intersects with their lived experiences,” Robert Parks, curriculum developer at MIT RAISE, said at the Day of AI global celebration.Before this year, first-year Jeremie Kwapong said he knew very little about AI. “I was very intrigued,” he said. “I started to experiment with ChatGPT to see how it reacts. How close can I get this to human emotion? What is AI’s knowledge compared to a human’s knowledge?”In addition to helping students spark an interest in AI literacy, teachers around the world have told MIT RAISE that they want to use data science lessons to engage students in conversations about climate change. Therefore, Day of AI’s new hands-on projects use weather and climate change to show students why it’s important to develop a critical understanding of dataset design and collection when observing the world around them.“There is a lag between cause and effect in everyday lives,” said Parks. “Our goal is to demystify that, and allow kids to access data so they can see a long view of things.”Tools like MIT App Inventor — which allows anyone to create a mobile application — help students make sense of what they can learn from data. Fournier, Leeth, and Magenyi programmed TreeSavers in App Inventor to chart regional deforestation rates across Massachusetts, identify ongoing trends through statistical models, and predict environmental impact. The students put that “long view” of climate change into practice when developing TreeSavers’ interactive maps. Users can toggle between Massachusetts’s current tree cover, historical data, and future high-risk areas.Although AI provides fast answers, it doesn’t necessarily offer equitable solutions, said David Sittenfeld, director of the Center for the Environment at the Museum of Science. The Day of AI curriculum asks students to make decisions on sourcing data, ensuring unbiased data, and thinking responsibly about how findings could be used.“There’s an ethical concern about tracking people’s data,” said Ethan Jorda, a New England Innovation Academy student. His group used open-source data to program an app that helps users track and reduce their carbon footprint.Christine Cunningham, senior vice president of STEM Learning at the Museum of Science, believes students are prepared to use AI responsibly to make the world a better place. “They can see themselves shaping the world they live in,” said Cunningham. “Moving through from understanding to action, kids will never look at a bridge or a piece of plastic lying on the ground in the same way again.”Deepening collaboration on earth and beyondThe 2024 Day of AI speakers emphasized collaborative problem solving at the local, national, and global levels.“Through different ideas and different perspectives, we’re going to get better solutions,” said Cunningham. “How do we start young enough that every child has a chance to both understand the world around them but also to move toward shaping the future?”Presenters from MIT, the Museum of Science, and NASA approached this question with a common goal — expanding STEM education to learners of all ages and backgrounds.“We have been delighted to collaborate with the MIT RAISE team to bring this year’s Day of AI celebration to the Museum of Science,” says Meg Rosenburg, manager of operations at the Museum of Science Centers for Public Science Learning. “This opportunity to highlight the new climate modules for the curriculum not only perfectly aligns with the museum’s goals to focus on climate and active hope throughout our Year of the Earthshot initiative, but it has also allowed us to bring our teams together and grow a relationship that we are very excited to build upon in the future.”Rachel Connolly, systems integration and analysis lead for NASA’s Science Activation Program, showed the power of collaboration with the example of how human comprehension of Saturn’s appearance has evolved. From Galileo’s early telescope to the Cassini space probe, modern imaging of Saturn represents 400 years of science, technology, and math working together to further knowledge.“Technologies, and the engineers who built them, advance the questions we’re able to ask and therefore what we’re able to understand,” said Connolly, research scientist at MIT Media Lab.New England Innovation Academy students saw an opportunity for collaboration a little closer to home. Emmett Buck-Thompson, Jeff Cheng, and Max Hunt envisioned a social media app to connect volunteers with local charities. Their project was inspired by Buck-Thompson’s father’s difficulties finding volunteering opportunities, Hunt’s role as the president of the school’s Community Impact Club, and Cheng’s aspiration to reduce screen time for social media users. Using MIT App Inventor, ​their combined ideas led to a prototype with the potential to make a real-world impact in their community.The Day of AI curriculum teaches the mechanics of AI, ethical considerations and responsible uses, and interdisciplinary applications for different fields. It also empowers students to become creative problem solvers and engaged citizens in their communities and online. From supporting volunteer efforts to encouraging action for the state’s forests to tackling the global challenge of climate change, today’s students are becoming tomorrow’s leaders with Day of AI.“We want to empower you to know that this is a tool you can use to make your community better, to help people around you with this technology,” said Breazeal.Other Day of AI speakers included Tim Ritchie, president of the Museum of Science; Michael Lawrence Evans, program director of the Boston Mayor’s Office of New Urban Mechanics; Dava Newman, director of the MIT Media Lab; and Natalie Lao, executive director of the App Inventor Foundation. More