Showing posts with label Molecular. Show all posts
Showing posts with label Molecular. Show all posts

Friday, 27 May 2016

new formula for concrete

Finding a new formula for concrete. Researchers look to bones and shells as blueprints for stronger, more durable concrete.


Scientia — Researchers at MIT are seeking to redesign concrete — the most widely used human-made material in the world — by following nature’s blueprints.


formula for concrete, Concrete, bones , natural materials, molecular , Macro, From molecules to bridges


In a paper published online in the journal Construction and Building Materials, the team contrasts cement paste — concrete’s binding ingredient — with the structure and properties of natural materials such as bones, shells, and deep-sea sponges. As the researchers observed, these biological materials are exceptionally strong and durable, thanks in part to their precise assembly of structures at multiple length scales, from the molecular to the macro, or visible, level.


From their observations, the team, led by Oral Buyukozturk, a professor in MIT’s Department of Civil and Environmental Engineering (CEE), proposed a new bioinspired, “bottom-up” approach for designing cement paste.





“These materials are assembled in a fascinating fashion, with simple constituents arranging in complex geometric configurations that are beautiful to observe,” Buyukozturk says. “We want to see what kinds of micromechanisms exist within them that provide such superior properties, and how we can adopt a similar building-block-based approach for concrete.”


Ultimately, the team hopes to identify materials in nature that may be used as sustainable and longer-lasting alternatives to Portland cement, which requires a huge amount of energy to manufacture.


“If we can replace cement, partially or totally, with some other materials that may be readily and amply available in nature, we can meet our objectives for sustainability,” Buyukozturk says.


Co-authors on the paper include lead author and graduate student Steven Palkovic, graduate student Dieter Brommer, research scientist Kunal Kupwade-Patil, CEE assistant professor Admir Masic, and CEE department head Markus Buehler, the McAfee Professor of Engineering.


“The merger of theory, computation, new synthesis, and characterization methods have enabled a paradigm shift that will likely change the way we produce this ubiquitous material, forever,” Buehler says. “It could lead to more durable roads, bridges, structures, reduce the carbon and energy footprint, and even enable us to sequester carbon dioxide as the material is made. Implementing nanotechnology in concrete is one powerful example [of how] to scale up the power of nanoscience to solve grand engineering challenges.”


From molecules to bridges


Today’s concrete is a random assemblage of crushed rocks and stones, bound together by a cement paste. Concrete’s strength and durability depends partly on its internal structure and configuration of pores. For example, the more porous the material, the more vulnerable it is to cracking. However, there are no techniques available to precisely control concrete’s internal structure and overall properties.


“It’s mostly guesswork,” Buyukozturk says. “We want to change the culture and start controlling the material at the mesoscale.”


As Buyukozturk describes it, the “mesoscale” represents the connection between microscale structures and macroscale properties. For instance, how does cement’s microscopic arrangement affect the overall strength and durability of a tall building or a long bridge? Understanding this connection would help engineers identify features at various length scales that would improve concrete’s overall performance.


“We’re dealing with molecules on the one hand, and building a structure that’s on the order of kilometers in length on the other,” Buyukozturk says. “How do we connect the information we develop at the very small scale, to the information at the large scale? This is the riddle.”





Building from the bottom, up


A comparison of natural materials and cement paste demonstrates the steps by which smaller pieces assemble to form larger structures. Image courtesy of the researchers.


To start to understand this connection, he and his colleagues looked to biological materials such as bone, deep sea sponges, and nacre (an inner shell layer of mollusks), which have all been studied extensively for their mechanical and microscopic properties. They looked through the scientific literature for information on each biomaterial, and compared their structures and behavior, at the nano-, micro-, and macroscales, with that of cement paste.


They looked for connections between a material’s structure and its mechanical properties. For instance, the researchers found that a deep sea sponge’s onion-like structure of silica layers provides a mechanism for preventing cracks. Nacre has a “brick-and-mortar” arrangement of minerals that generates a strong bond between the mineral layers, making the material extremely tough.


“In this context, there is a wide range of multiscale characterization and computational modeling techniques that are well established for studying the complexities of biological and biomimetic materials, which can be easily translated into the cement community,” says Masic.


Applying the information they learned from investigating biological materials, as well as knowledge they gathered on existing cement paste design tools, the team developed a general, bioinspired framework, or methodology, for engineers to design cement, “from the bottom up.”


The framework is essentially a set of guidelines that engineers can follow, in order to determine how certain additives or ingredients of interest will impact cement’s overall strength and durability. For instance, in a related line of research, Buyukozturk is looking into volcanic ash as a cement additive or substitute. To see whether volcanic ash would improve cement paste’s properties, engineers, following the group’s framework, would first use existing experimental techniques, such as nuclear magnetic resonance, scanning electron microscopy, and X-ray diffraction to characterize volcanic ash’s solid and pore configurations over time.


Researchers could then plug these measurements into models that simulate concrete’s long-term evolution, to identify mesoscale relationships between, say, the properties of volcanic ash and the material’s contribution to the strength and durability of an ash-containing concrete bridge. These simulations can then be validated with conventional compression and nanoindentation experiments, to test actual samples of volcanic ash-based concrete.


Ultimately, the researchers hope the framework will help engineers identify ingredients that are structured and evolve in a way, similar to biomaterials, that may improve concrete’s performance and longevity.


“Hopefully this will lead us to some sort of recipe for more sustainable concrete,” Buyukozturk says. “Typically, buildings and bridges are given a certain design life. Can we extend that design life maybe twice or three times? That’s what we aim for. Our framework puts it all on paper, in a very concrete way, for engineers to use.”


This research was supported in part by the Kuwait Foundation for the Advancement of Sciences through the Kuwait-MIT Center for Natural Resources and the Environment, the National Institute of Standards and Technology, and Argonne National Laboratory.




– Credit and Resource –


Jennifer Chu | MIT News Office




new formula for concrete

Friday, 18 September 2015

Inexpensive new catalyst can be fine-tuned

Material could replace precious metals and produce precisely controlled electrochemical reactivity.


Scientia — Researchers at MIT and Lawrence Berkeley National Laboratory have developed a new type of catalyst that can be tuned to promote desired chemical reactions, potentially enabling the replacement of expensive and rare metals in fuel cells.


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The new catalyst is carbon-based, made of graphite with additional compounds bonded to the edges of two-dimensional sheets of graphene that make up the material. By adjusting the composition and amounts of these added compounds, the characteristics of the catalyst can be adjusted to favor specific chemical reactions.






The new catalytic material is described in a paper published in JACS, the Journal of the American Chemical Society, by MIT assistant professor of chemistry Yogesh Surendranath and three collaborators.


Catalysts enhance the rate of a chemical reaction but are not consumed in the process. As a result, the repeated action of very small amounts of a catalyst can have large and long-lasting effects.


There are two basic types of electrocatalysts, which are crucial for enabling reactions in devices such as fuel cells or electrolyzers. Molecular electrocatalysts have the advantage of being relatively easy to tune by chemical treatment, so their reactivity and selectivity match the desired application; heterogeneous electrocatalysts, which are much more durable and easy to process into a device, tend to lack that ability for precise control.


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An example of the type of test electrodes the researchers use.
Courtesy of the researchers


“What we wanted to do was to figure out a way to bridge those two worlds,” Surendranath explains. His team was able to accomplish that by taking graphite and finding a way to chemically modify its surface to give it the desired tunability.


The basic material used is pure carbon, which is “the universal electrode material” in batteries and fuel cells, Surendranath says. By finding a way to make this material tunable in the same ways as molecular catalysts, the researchers are providing an opening to a new approach to the design of such materials, which are also a key part of many chemical manufacturing processes.


In addition to their possible uses in fuel cells, such new catalysts could also be useful for enhancing chemical reactions, such as reducing carbon dioxide to convert it into a usable fuel, Surendranath says. This could reduce emissions of a principal greenhouse gas that fosters climate change, and transform it into a useful, renewable fuel.


The initial finding described in this paper is “just one piece of what we believe is a large iceberg,” Surendranath adds, since the basic ingredient is “a dirt cheap material that we are modifying using well-known chemistry.”




One frequent barrier to taking systems that work in the laboratory and making them into practical, marketable products is the ability to scale up the production process. “You need to be able to scale efficiently,” Surendranath says. The fact that the basis for the new catalyst is “a class of materials that are already made at scale, for commodities like paint and rubber,” should make scaling up their process relatively straightforward, he says: “All the keys to that are already in place.”


Surendranath says that this finding is particularly exciting because chemists “usually take a very precise refined material and then engineer some of its properties. But in this case, it allows us to take a material that is cheap and abundant, and turn it into something very valuable. It’s a different paradigm.”


“Electrocatalysis will play an increasingly important role for the interconversion of electrical and chemical energy as solar and other renewable sources of electrical energy become cheaper and more available,” says Clark Landis, a professor of chemistry at the University of Wisconsin at Madison, who was not involved in this work. “Large scale electrocatalysis requires electrodes that are inexpensive, robust, easily fabricated, and exhibit high, tunable catalytic activity … The principles of graphite modification demonstrated in this work likely will form the basis of new, rationally-designed electrocatalytic materials.”


Landis adds that “this paper has many layers of detail that make for compelling characterization and a complete story. But the presentation is so clear and systematic as to appear almost simple. The reader is left wondering ‘Why didn’t I think of that?’ These are hallmarks of high quality science.”


The research team also included postdoc Tomohiro Fukushima at MIT and Walter Drisdell and Junko Yano at Lawrence Berkeley National Laboratory in California. The work was supported, in part, by the U.S. Department of Energy.


– Credit and Resource –


David L. Chandler | MIT News Office






Inexpensive new catalyst can be fine-tuned