#chemical applications

[tradeasiaintl]

Sodium sulphate, also known as Glauber’s salt, is a versatile inorganic compound with numerous industrial applications. Its unique chemical properties and low cost make it an attractive choice for various sectors.

Read more about Sodium sulphate blog at sodiumsulphate.biz

[zentrodada]

Smith College Girls for i-D magazine 2004

[sunnylemonss]

there's no higher betrayal than finding out your favorite book has been made into a movie and the movie turns out to be absolute garbage

[youmustfixyourheartt]

and I don't wanna see a SINGLE one of you dressed as their dictator characters at the shows. I wanna see resistance I wanna see color don't fall in line. "in the face of extermination say fuck you" etc. by dressing as the dictators not only are you continuing to perpetuate fascist imagery, you're proving just how easy it is to be influenced by people who tell you to perpetuate it.

[marciliedonato]

We are SO back (never fucking left) we are SOOOOO back you guys mcr5 real time for joy and whimsy on planet earth...

[jcmarchi]

Translating MIT research into real-world results

New Post has been published on https://thedigitalinsider.com/translating-mit-research-into-real-world-results/

Translating MIT research into real-world results

Inventive solutions to some of the world’s most critical problems are being discovered in labs, classrooms, and centers across MIT every day. Many of these solutions move from the lab to the commercial world with the help of over 85 Institute resources that comprise MIT’s robust innovation and entrepreneurship (I&E) ecosystem. The Abdul Latif Jameel Water and Food Systems Lab (J-WAFS) draws on MIT’s wealth of I&E knowledge and experience to help researchers commercialize their breakthrough technologies through the J-WAFS Solutions grant program. By collaborating with I&E programs on campus, J-WAFS prepares MIT researchers for the commercial world, where their novel innovations aim to improve productivity, accessibility, and sustainability of water and food systems, creating economic, environmental, and societal benefits along the way.

The J-WAFS Solutions program launched in 2015 with support from Community Jameel, an international organization that advances science and learning for communities to thrive. Since 2015, J-WAFS Solutions has supported 19 projects with one-year grants of up to $150,000, with some projects receiving renewal grants for a second year of support. Solutions projects all address challenges related to water or food. Modeled after the esteemed grant program of MIT’s Deshpande Center for Technological Innovation, and initially administered by Deshpande Center staff, the J-WAFS Solutions program follows a similar approach by supporting projects that have already completed the basic research and proof-of-concept phases. With technologies that are one to three years away from commercialization, grantees work on identifying their potential markets and learn to focus on how their technology can meet the needs of future customers.

“Ingenuity thrives at MIT, driving inventions that can be translated into real-world applications for widespread adoption, implantation, and use,” says J-WAFS Director Professor John H. Lienhard V. “But successful commercialization of MIT technology requires engineers to focus on many challenges beyond making the technology work. MIT’s I&E network offers a variety of programs that help researchers develop technology readiness, investigate markets, conduct customer discovery, and initiate product design and development,” Lienhard adds. “With this strong I&E framework, many J-WAFS Solutions teams have established startup companies by the completion of the grant. J-WAFS-supported technologies have had powerful, positive effects on human welfare. Together, the J-WAFS Solutions program and MIT’s I&E ecosystem demonstrate how academic research can evolve into business innovations that make a better world,” Lienhard says.

Creating I&E collaborations

In addition to support for furthering research, J-WAFS Solutions grants allow faculty, students, postdocs, and research staff to learn the fundamentals of how to transform their work into commercial products and companies. As part of the grant requirements, researchers must interact with mentors through MIT Venture Mentoring Service (VMS). VMS connects MIT entrepreneurs with teams of carefully selected professionals who provide free and confidential mentorship, guidance, and other services to help advance ideas into for-profit, for-benefit, or nonprofit ventures. Since 2000, VMS has mentored over 4,600 MIT entrepreneurs across all industries, through a dynamic and accomplished group of nearly 200 mentors who volunteer their time so that others may succeed. The mentors provide impartial and unbiased advice to members of the MIT community, including MIT alumni in the Boston area. J-WAFS Solutions teams have been guided by 21 mentors from numerous companies and nonprofits. Mentors often attend project events and progress meetings throughout the grant period.

“Working with VMS has provided me and my organization with a valuable sounding board for a range of topics, big and small,” says Eric Verploegen PhD ’08, former research engineer in MIT’s D-Lab and founder of J-WAFS spinout CoolVeg. Along with professors Leon Glicksman and Daniel Frey, Verploegen received a J-WAFS Solutions grant in 2021 to commercialize cold-storage chambers that use evaporative cooling to help farmers preserve fruits and vegetables in rural off-grid communities. Verploegen started CoolVeg in 2022 to increase access and adoption of open-source, evaporative cooling technologies through collaborations with businesses, research institutions, nongovernmental organizations, and government agencies. “Working as a solo founder at my nonprofit venture, it is always great to have avenues to get feedback on communications approaches, overall strategy, and operational issues that my mentors have experience with,” Verploegen says. Three years after the initial Solutions grant, one of the VMS mentors assigned to the evaporative cooling team still acts as a mentor to Verploegen today.

Another Solutions grant requirement is for teams to participate in the Spark program — a free, three-week course that provides an entry point for researchers to explore the potential value of their innovation. Spark is part of the National Science Foundation’s (NSF) Innovation Corps (I-Corps), which is an “immersive, entrepreneurial training program that facilitates the transformation of invention to impact.” In 2018, MIT received an award from the NSF, establishing the New England Regional Innovation Corps Node (NE I-Corps) to deliver I-Corps training to participants across New England. Trainings are open to researchers, engineers, scientists, and others who want to engage in a customer discovery process for their technology. Offered regularly throughout the year, the Spark course helps participants identify markets and explore customer needs in order to understand how their technologies can be positioned competitively in their target markets. They learn to assess barriers to adoption, as well as potential regulatory issues or other challenges to commercialization. NE-I-Corps reports that since its start, over 1,200 researchers from MIT have completed the program and have gone on to launch 175 ventures, raising over $3.3 billion in funding from grants and investors, and creating over 1,800 jobs.

Constantinos Katsimpouras, a research scientist in the Department of Chemical Engineering, went through the NE I-Corps Spark program to better understand the customer base for a technology he developed with professors Gregory Stephanopoulos and Anthony Sinskey. The group received a J-WAFS Solutions grant in 2021 for their microbial platform that converts food waste from the dairy industry into valuable products. “As a scientist with no prior experience in entrepreneurship, the program introduced me to important concepts and tools for conducting customer interviews and adopting a new mindset,” notes Katsimpouras. “Most importantly, it encouraged me to get out of the building and engage in interviews with potential customers and stakeholders, providing me with invaluable insights and a deeper understanding of my industry,” he adds. These interviews also helped connect the team with companies willing to provide resources to test and improve their technology — a critical step to the scale-up of any lab invention.

In the case of Professor Cem Tasan’s research group in the Department of Materials Science and Engineering, the I-Corps program led them to the J-WAFS Solutions grant, instead of the other way around. Tasan is currently working with postdoc Onur Guvenc on a J-WAFS Solutions project to manufacture formable sheet metal by consolidating steel scrap without melting, thereby reducing water use compared to traditional steel processing. Before applying for the Solutions grant, Guvenc took part in NE I-Corps. Like Katsimpouras, Guvenc benefited from the interaction with industry. “This program required me to step out of the lab and engage with potential customers, allowing me to learn about their immediate challenges and test my initial assumptions about the market,” Guvenc recalls. “My interviews with industry professionals also made me aware of the connection between water consumption and steelmaking processes, which ultimately led to the J-WAFS 2023 Solutions Grant,” says Guvenc.

After completing the Spark program, participants may be eligible to apply for the Fusion program, which provides microgrants of up to $1,500 to conduct further customer discovery. The Fusion program is self-paced, requiring teams to conduct 12 additional customer interviews and craft a final presentation summarizing their key learnings. Professor Patrick Doyle’s J-WAFS Solutions team completed the Spark and Fusion programs at MIT. Most recently, their team was accepted to join the NSF I-Corps National program with a $50,000 award. The intensive program requires teams to complete an additional 100 customer discovery interviews over seven weeks. Located in the Department of Chemical Engineering, the Doyle lab is working on a sustainable microparticle hydrogel system to rapidly remove micropollutants from water. The team’s focus has expanded to higher value purifications in amino acid and biopharmaceutical manufacturing applications. Devashish Gokhale PhD ’24 worked with Doyle on much of the underlying science.

“Our platform technology could potentially be used for selective separations in very diverse market segments, ranging from individual consumers to large industries and government bodies with varied use-cases,” Gokhale explains. He goes on to say, “The I-Corps Spark program added significant value by providing me with an effective framework to approach this problem … I was assigned a mentor who provided critical feedback, teaching me how to formulate effective questions and identify promising opportunities.” Gokhale says that by the end of Spark, the team was able to identify the best target markets for their products. He also says that the program provided valuable seminars on topics like intellectual property, which was helpful in subsequent discussions the team had with MIT’s Technology Licensing Office.

Another member of Doyle’s team, Arjav Shah, a recent PhD from MIT’s Department of Chemical Engineering and a current MBA candidate at the MIT Sloan School of Management, is spearheading the team’s commercialization plans. Shah attended Fusion last fall and hopes to lead efforts to incorporate a startup company called hydroGel.  “I admire the hypothesis-driven approach of the I-Corps program,” says Shah. “It has enabled us to identify our customers’ biggest pain points, which will hopefully lead us to finding a product-market fit.” He adds “based on our learnings from the program, we have been able to pivot to impact-driven, higher-value applications in the food processing and biopharmaceutical industries.” Postdoc Luca Mazzaferro will lead the technical team at hydroGel alongside Shah.

In a different project, Qinmin Zheng, a postdoc in the Department of Civil and Environmental Engineering, is working with Professor Andrew Whittle and Lecturer Fábio Duarte. Zheng plans to take the Fusion course this fall to advance their J-WAFS Solutions project that aims to commercialize a novel sensor to quantify the relative abundance of major algal species and provide early detection of harmful algal blooms. After completing Spark, Zheng says he’s “excited to participate in the Fusion program, and potentially the National I-Corps program, to further explore market opportunities and minimize risks in our future product development.”

Economic and societal benefits

Commercializing technologies developed at MIT is one of the ways J-WAFS helps ensure that MIT research advances will have real-world impacts in water and food systems. Since its inception, the J-WAFS Solutions program has awarded 28 grants (including renewals), which have supported 19 projects that address a wide range of global water and food challenges. The program has distributed over $4 million to 24 professors, 11 research staff, 15 postdocs, and 30 students across MIT. Nearly half of all J-WAFS Solutions projects have resulted in spinout companies or commercialized products, including eight companies to date plus two open-source technologies.

Nona Technologies is an example of a J-WAFS spinout that is helping the world by developing new approaches to produce freshwater for drinking. Desalination — the process of removing salts from seawater — typically requires a large-scale technology called reverse osmosis. But Nona created a desalination device that can work in remote off-grid locations. By separating salt and bacteria from water using electric current through a process called ion concentration polarization (ICP), their technology also reduces overall energy consumption. The novel method was developed by Jongyoon Han, professor of electrical engineering and biological engineering, and research scientist Junghyo Yoon. Along with Bruce Crawford, a Sloan MBA alum, Han and Yoon created Nona Technologies to bring their lightweight, energy-efficient desalination technology to the market.

“My feeling early on was that once you have technology, commercialization will take care of itself,” admits Crawford. The team completed both the Spark and Fusion programs and quickly realized that much more work would be required. “Even in our first 24 interviews, we learned that the two first markets we envisioned would not be viable in the near term, and we also got our first hints at the beachhead we ultimately selected,” says Crawford. Nona Technologies has since won MIT’s $100K Entrepreneurship Competition, received media attention from outlets like Newsweek and Fortune, and hired a team that continues to further the technology for deployment in resource-limited areas where clean drinking water may be scarce. 

Food-borne diseases sicken millions of people worldwide each year, but J-WAFS researchers are addressing this issue by integrating molecular engineering, nanotechnology, and artificial intelligence to revolutionize food pathogen testing. Professors Tim Swager and Alexander Klibanov, of the Department of Chemistry, were awarded one of the first J-WAFS Solutions grants for their sensor that targets food safety pathogens. The sensor uses specialized droplets that behave like a dynamic lens, changing in the presence of target bacteria in order to detect dangerous bacterial contamination in food. In 2018, Swager launched Xibus Systems Inc. to bring the sensor to market and advance food safety for greater public health, sustainability, and economic security.

“Our involvement with the J-WAFS Solutions Program has been vital,” says Swager. “It has provided us with a bridge between the academic world and the business world and allowed us to perform more detailed work to create a usable application,” he adds. In 2022, Xibus developed a product called XiSafe, which enables the detection of contaminants like salmonella and listeria faster and with higher sensitivity than other food testing products. The innovation could save food processors billions of dollars worldwide and prevent thousands of food-borne fatalities annually.

J-WAFS Solutions companies have raised nearly $66 million in venture capital and other funding. Just this past June, J-WAFS spinout SiTration announced that it raised an $11.8 million seed round. Jeffrey Grossman, a professor in MIT’s Department of Materials Science and Engineering, was another early J-WAFS Solutions grantee for his work on low-cost energy-efficient filters for desalination. The project enabled the development of nanoporous membranes and resulted in two spinout companies, Via Separations and SiTration. SiTration was co-founded by Brendan Smith PhD ’18, who was a part of the original J-WAFS team. Smith is CEO of the company and has overseen the advancement of the membrane technology, which has gone on to reduce cost and resource consumption in industrial wastewater treatment, advanced manufacturing, and resource extraction of materials such as lithium, cobalt, and nickel from recycled electric vehicle batteries. The company also recently announced that it is working with the mining company Rio Tinto to handle harmful wastewater generated at mines.

But it’s not just J-WAFS spinout companies that are producing real-world results. Products like the ECC Vial — a portable, low-cost method for E. coli detection in water — have been brought to the market and helped thousands of people. The test kit was developed by MIT D-Lab Lecturer Susan Murcott and Professor Jeffrey Ravel of the MIT History Section. The duo received a J-WAFS Solutions grant in 2018 to promote safely managed drinking water and improved public health in Nepal, where it is difficult to identify which wells are contaminated by E. coli. By the end of their grant period, the team had manufactured approximately 3,200 units, of which 2,350 were distributed — enough to help 12,000 people in Nepal. The researchers also trained local Nepalese on best manufacturing practices.

“It’s very important, in my life experience, to follow your dream and to serve others,” says Murcott. Economic success is important to the health of any venture, whether it’s a company or a product, but equally important is the social impact — a philosophy that J-WAFS research strives to uphold. “Do something because it’s worth doing and because it changes people’s lives and saves lives,” Murcott adds.

As J-WAFS prepares to celebrate its 10th anniversary this year, we look forward to continued collaboration with MIT’s many I&E programs to advance knowledge and develop solutions that will have tangible effects on the world’s water and food systems.

Learn more about the J-WAFS Solutions program and about innovation and entrepreneurship at MIT.

[plasticairenvironmental]

Plasticair Environmental: Leading Ventilation Fan Solutions

Plasticair Environmental specializes in high-performance air filtration solutions, including Horizontal Packed Bed, Fume Hood, Chrome, Vertical Packed Bed, Venturi scrubbers, and Mist Eliminators. Trusted by Plasticair Inc.

[manilaxmiindustrial]

Things You Should Know About Hastelloy Flanges By Manilaxmi Industrial

Manilaxmi Industrial: When it comes to choosing materials for industrial applications, Hastelloy flanges stand out as a top option due to their remarkable properties and performance। Understanding Hastelloy flanges' characteristics and benefits can help you make informed choices about your projects, whether you're working in chemical processing, oil and gas production, or power generation। What you need to know about Hastelloy flanges is here।

What are Hastelloy Flanges?

Hastelloy flanges are components made from Hastelloy, a high-performance alloy primarily composed of nickel, chromium, and molybdenum. This superalloy is renowned for its excellent corrosion resistance, high-temperature strength, and durability in harsh environments. Flanges are used to connect pipes, valves, pumps, and other equipment, ensuring a secure and leak-proof system.

Key Properties of Hastelloy Flanges?

1. Corrosion Resistance: Hastelloy flanges are highly resistant to various forms of corrosion, including pitting, crevice corrosion, and stress corrosion cracking. This makes them ideal for use in aggressive environments where other materials might fail.

2. Temperature Resistance: These flanges can withstand extreme temperatures, both high and low, without losing their structural integrity. This property is crucial for industries that operate under severe thermal conditions.

3. Mechanical Strength: Hastelloy flanges offer exceptional mechanical strength, ensuring durability and reliability even under high stress and pressure.

4. Versatility: Due to their unique properties, Hastelloy flanges are versatile and suitable for a wide range of applications across various industries

Types of Hastelloy Flanges?

Hastelloy flanges come in different types, each designed for specific applications and connection methods. Common types include:

• Weld Neck Flanges: These flanges are designed to be welded to the pipe, providing a strong and leak-proof connection ideal for high-pressure applications.

• Slip-On Flanges: Easier to install than weld neck flanges, these are slipped over the pipe and then welded. They are suitable for low-pressure environments.

• Blind Flanges: Used to close the end of a pipe or valve, blind flanges are essential for testing and maintenance purposes.

• Socket Weld Flanges: These flanges are similar to slip-on flanges but have a socket for welding, providing a smoother flow inside the pipe.

• Lap Joint Flanges: These are used with a stub end and are ideal for systems that require frequent disassembly.

Applications of Hastelloy Flanges?

Given their superior properties, Hastelloy flanges are used in a variety of demanding applications, such as:

• Chemical Processing: The exceptional corrosion resistance of Hastelloy makes it perfect for handling corrosive chemicals and acids.

• Oil and Gas: In the oil and gas industry, Hastelloy flanges are used in pipelines and equipment exposed to harsh environments and high pressures.

• Power Generation: These flanges are used in power plants, particularly in high-temperature and high-pressure sections.

• Marine Engineering: Hastelloy’s resistance to seawater corrosion makes it ideal for offshore and marine applications.

Advantages of Using Hastelloy Flanges?

1. Longevity: The durability and resistance to wear and tear extend the lifespan of the equipment, reducing the need for frequent replacements.

2. Safety: Enhanced mechanical strength and corrosion resistance ensure safer operations in critical applications.

3. Cost-Effective: Despite the higher initial cost, the longevity and reliability of Hastelloy flanges can lead to cost savings over time by minimizing downtime and maintenance.

[gemkun]

what shatters you ?

      ⸻       exhaustion

  you   have   tried   to   be   atlas   for   far   too   long.   your   legs   tremble   and   shoulders   creak   beneath   the   weight   of   the   world   you   carry.   every   step   forward   is   a   battle   ,   yet   you   soldier   on   .   .   .   for   what   ?   when   will   you   learn   that   you   are   allowed   to   lower   your   heavy   burdens   ?

tagged by : @amourem ( peekaboo ) tagging : i'm late so feel free to if you haven't already !

[tonsillessscum]

*screams into my pillow bc my parents set me up for failure bc of the way they educated me*

[raustenacious]

I did it again

I mixed up my certaindri deodorant and the bio freeze (helps with achy muscles)

[zentrodada]

from when i was trying out crayons last year, the colours are pretty vibrant irl

[tasteofyourblood]

im ready for the horrors to come back :)

[cesium-sheep]

ah dang obviously I'd heard about the fruity garlic lady before since I watched every episode of buzzfeed unsolved but apparently 1. it was the next town over from where arin is working now which. yknow. makes the described awful conditions of the hospital make sense lol, and 2. it's been solved in the time since the buzzfeed unsolved video about it.

[hypn0tw1st]

" One thing you will never forget is the taste of chemical waste in your mouth. The incessant burning, bubbling on the tip of your tongue. The ache sinks into the skin past the muscle and into the nerves, pulsing with new energy something so different then how life tastes in any other context. Like you swallow the fire, bite the lightning and kiss the thunderstorm’s skin. How it beautifully detangles the folds of your mind like a ball of yarn, turning it from pink into a muddy green and red. Like mold. 

It’s something I will never forget. It’s something I can’t forget. The sour green bubbles in the viscous wetness behind my eyelids, pours from my spit. It is engrained to the very atom of my being, and it's beautiful."

I love writing, not because its fun, but because it's beautiful. I love writing pieces like this because i can take a piece of a character and make it taste like anything I want.

[jcmarchi]

Machine learning unlocks secrets to advanced alloys

New Post has been published on https://thedigitalinsider.com/machine-learning-unlocks-secrets-to-advanced-alloys/

Machine learning unlocks secrets to advanced alloys

The concept of short-range order (SRO) — the arrangement of atoms over small distances — in metallic alloys has been underexplored in materials science and engineering. But the past decade has seen renewed interest in quantifying it, since decoding SRO is a crucial step toward developing tailored high-performing alloys, such as stronger or heat-resistant materials.

Understanding how atoms arrange themselves is no easy task and must be verified using intensive lab experiments or computer simulations based on imperfect models. These hurdles have made it difficult to fully explore SRO in metallic alloys.

But Killian Sheriff and Yifan Cao, graduate students in MIT’s Department of Materials Science and Engineering (DMSE), are using machine learning to quantify, atom-by-atom, the complex chemical arrangements that make up SRO. Under the supervision of Assistant Professor Rodrigo Freitas, and with the help of Assistant Professor Tess Smidt in the Department of Electrical Engineering and Computer Science, their work was recently published in The Proceedings of the National Academy of Sciences.

Interest in understanding SRO is linked to the excitement around advanced materials called high-entropy alloys, whose complex compositions give them superior properties.

Typically, materials scientists develop alloys by using one element as a base and adding small quantities of other elements to enhance specific properties. The addition of chromium to nickel, for example, makes the resulting metal more resistant to corrosion.

Unlike most traditional alloys, high-entropy alloys have several elements, from three up to 20, in nearly equal proportions. This offers a vast design space. “It’s like you’re making a recipe with a lot more ingredients,” says Cao.

The goal is to use SRO as a “knob” to tailor material properties by mixing chemical elements in high-entropy alloys in unique ways. This approach has potential applications in industries such as aerospace, biomedicine, and electronics, driving the need to explore permutations and combinations of elements, Cao says.

Capturing short-range order

Short-range order refers to the tendency of atoms to form chemical arrangements with specific neighboring atoms. While a superficial look at an alloy’s elemental distribution might indicate that its constituent elements are randomly arranged, it is often not so. “Atoms have a preference for having specific neighboring atoms arranged in particular patterns,” Freitas says. “How often these patterns arise and how they are distributed in space is what defines SRO.”

Understanding SRO unlocks the keys to the kingdom of high-entropy materials. Unfortunately, not much is known about SRO in high-entropy alloys. “It’s like we’re trying to build a huge Lego model without knowing what’s the smallest piece of Lego that you can have,” says Sheriff.

Traditional methods for understanding SRO involve small computational models, or simulations with a limited number of atoms, providing an incomplete picture of complex material systems. “High-entropy materials are chemically complex — you can’t simulate them well with just a few atoms; you really need to go a few length scales above that to capture the material accurately,” Sheriff says. “Otherwise, it’s like trying to understand your family tree without knowing one of the parents.”

SRO has also been calculated by using basic mathematics, counting immediate neighbors for a few atoms and computing what that distribution might look like on average. Despite its popularity, the approach has limitations, as it offers an incomplete picture of SRO.

Fortunately, researchers are leveraging machine learning to overcome the shortcomings of traditional approaches for capturing and quantifying SRO.

Hyunseok Oh, assistant professor in the Department of Materials Science and Engineering at the University of Wisconsin at Madison and a former DMSE postdoc, is excited about investigating SRO more fully. Oh, who was not involved in this study, explores how to leverage alloy composition, processing methods, and their relationship to SRO to design better alloys. “The physics of alloys and the atomistic origin of their properties depend on short-range ordering, but the accurate calculation of short-range ordering has been almost impossible,” says Oh. 

A two-pronged machine learning solution

To study SRO using machine learning, it helps to picture the crystal structure in high-entropy alloys as a connect-the-dots game in an coloring book, Cao says.

“You need to know the rules for connecting the dots to see the pattern.” And you need to capture the atomic interactions with a simulation that is big enough to fit the entire pattern. 

First, understanding the rules meant reproducing the chemical bonds in high-entropy alloys. “There are small energy differences in chemical patterns that lead to differences in short-range order, and we didn’t have a good model to do that,” Freitas says. The model the team developed is the first building block in accurately quantifying SRO.

The second part of the challenge, ensuring that researchers get the whole picture, was more complex. High-entropy alloys can exhibit billions of chemical “motifs,” combinations of arrangements of atoms. Identifying these motifs from simulation data is difficult because they can appear in symmetrically equivalent forms — rotated, mirrored, or inverted. At first glance, they may look different but still contain the same chemical bonds.

The team solved this problem by employing 3D Euclidean neural networks. These advanced computational models allowed the researchers to identify chemical motifs from simulations of high-entropy materials with unprecedented detail, examining them atom-by-atom.

The final task was to quantify the SRO. Freitas used machine learning to evaluate the different chemical motifs and tag each with a number. When researchers want to quantify the SRO for a new material, they run it by the model, which sorts it in its database and spits out an answer.

The team also invested additional effort in making their motif identification framework more accessible. “We have this sheet of all possible permutations of [SRO] already set up, and we know what number each of them got through this machine learning process,” Freitas says. “So later, as we run into simulations, we can sort them out to tell us what that new SRO will look like.” The neural network easily recognizes symmetry operations and tags equivalent structures with the same number.

“If you had to compile all the symmetries yourself, it’s a lot of work. Machine learning organized this for us really quickly and in a way that was cheap enough that we could apply it in practice,” Freitas says.

Enter the world’s fastest supercomputer

This summer, Cao and Sheriff and team will have a chance to explore how SRO can change under routine metal processing conditions, like casting and cold-rolling, through the U.S. Department of Energy’s INCITE program, which allows access to Frontier, the world’s fastest supercomputer.

“If you want to know how short-range order changes during the actual manufacturing of metals, you need to have a very good model and a very large simulation,” Freitas says. The team already has a strong model; it will now leverage INCITE’s computing facilities for the robust simulations required.

“With that we expect to uncover the sort of mechanisms that metallurgists could employ to engineer alloys with pre-determined SRO,” Freitas adds.

Sheriff is excited about the research’s many promises. One is the 3D information that can be obtained about chemical SRO. Whereas traditional transmission electron microscopes and other methods are limited to two-dimensional data, physical simulations can fill in the dots and give full access to 3D information, Sheriff says.

“We have introduced a framework to start talking about chemical complexity,” Sheriff explains. “Now that we can understand this, there’s a whole body of materials science on classical alloys to develop predictive tools for high-entropy materials.”

That could lead to the purposeful design of new classes of materials instead of simply shooting in the dark.

The research was funded by the MathWorks Ignition Fund, MathWorks Engineering Fellowship Fund, and the Portuguese Foundation for International Cooperation in Science, Technology and Higher Education in the MIT–Portugal Program.