UVA, Northwestern engineers help keep pace with Moore's Law by exploring a new material class

University of Virginia School of Engineering and Northwestern University researchers create a new polymer-based electrical insulation for circuits that could help put more power in smaller spaces

Progress in the field of integrated circuits is measured by matching, exceeding, or falling behind the rate set forth by Gordon Moore, former CEO and co-founder of Intel, who said the number of electronic components, or transistors, per integrated circuit would double every year. That was more than 50 years ago, and surprisingly his prediction, now called Moore's Law, came true.

In recent years, it was thought that the pace had slowed; one of the biggest challenges of putting more circuits and power on a smaller chip is managing heat.

A multidisciplinary group that includes Patrick E. Hopkins, a professor in the University of Virginia's Department of Mechanical and Aerospace Engineering, and Will Dichtel, a professor in Northwestern University's Department of Chemistry, is inventing a new class of material with the potential to keep chips cool as they keep shrinking in size -- and to help Moore's Law remain true. Their work was recently published in an academic journal. Impedance measurements conducted on parallel plate capacitors confirm that COF-5 is a low-k dielectric.  CREDIT Austin Evans

Electrical insulation materials that minimize electrical crosstalk in chips are called "low-k" dielectrics. This material type is the silent hero that makes all electronics possible by steering the current to eliminate signal erosion and interference; ideally, it can also pull damaging heat caused by electrical current away from the circuitry. The heat problem becomes exponential as the chip gets smaller because not only are there more transistors in a given area, which makes more heat in that same area, they are closer together, which makes it harder for heat to dissipate.

"Scientists have been in search of a low-k dielectric material that can handle the heat transfer and space issues inherent at much smaller scales," Hopkins said. "Although we've come a long way, new breakthroughs are just not going to happen unless we combine disciplines. For this project, we've used research and principles from several fields - mechanical engineering, chemistry, materials science, electrical engineering -- to solve a really tough problem that none of us could work out on our own."

Hopkins is one of the leaders of UVA Engineering's Multifunctional Materials Integration initiative, which brings together researchers from multiple engineering disciplines to formulate materials with a wide array of functionalities.

"Seeing 'my' problem through someone else's lens in a different field was not only fascinating, but it also sparked ideas that ultimately brought advancement. I think we all had that experience," said Ashutosh Giri, a former UVA Engineering senior scientist and Ph.D. student in Hopkins' lab, the co-first author on the Nature Materials paper, and a mechanical, industrial, and systems engineering assistant professor at Rhode Island University.

"The heart of the project was when the chemical team realized the thermal functionality of their material, understanding a new dimension about their work, and when the mechanical and materials team understood the level of molecular engineering possible with chemistry," Giri said.

"We're taking sheets of polymer that are only one atom thick - we call this 2D - and controlling their properties by layering the sheets in a specific architecture," Dichtel said.

"Our efforts on improving the methods to produce high-quality 2D polymer films enabled this collaborative work."

The team is applying this new material class to try to meet the requirements of miniaturizing transistors on a dense chip, Dichtel said.

"This has enormous potential for use in the semiconductor industry, the industry that manufactures chips. The material has both low electrical conductivity, or 'low-k,' and high heat transfer capability," he said.

This combination of properties was recently identified by the International Roadmap for Semiconductors as a prerequisite for next-generation integrated circuits.

"For this project, we are focusing on the thermal properties of this new material class, which is fantastic, but even more exciting is that we are just scratching the surface," said Austin Evans, a Ph.D. student in Dichtel's lab at Northwestern and first co-author on the paper. "Developing new classes of materials with unique combinations of properties has amazing technological potential.

"We are already exploring this new class of materials for many applications, for instance, chemical sensing. We can use these materials to determine -- 'sense' -- what chemicals and how much of those chemicals are in the air. This has broad-reaching implications. For instance, by knowing about the chemicals in the air, we can optimize food storage, transport, and distribution to reduce global food waste. As we continue exploring, we are likely to find even more traits unique to these new materials," Evans said.

Researchers from Queen Mary University of London develop a new computational approach to predict how liquids freeze

The process of freezing, where a liquid turns into a solid, isn’t as simple as it might seem. Many substances, including water and wax, have several solid states as a result of differences in the arrangement of their atoms and molecules. However, performing experiments to visualize the exact molecular arrangements and how they transform between states can be difficult.

Over the last few decades, computational models have increasingly been used to complement experimental studies, bringing new molecular insights into the properties of gas and liquid states as well as the transitions between them (e.g. evaporation).

However denser phases are still a challenge, and the complexity of the freezing liquids into solids has eluded most methods, especially where there is more than one possible solid arrangement. Icicles hanging from a pipe. Credit: Besjunior/iStock.com.

In the study, published in the Journal of Physical Chemistry B, the scientists developed novel computational approaches to study wax, which is known to have multiple frozen arrangements. Using their method they were able to predict its melting point within 2°C of the experimental value.

Comparing performance

When they compared the performance of these methods with most existing computational techniques, they showed their modeling approach provided a more realistic view of what happens when liquids freeze and could even predict some of the more ‘exotic’ crystal structures formed during this process.

Dr. Stephen Burrows, Postdoctoral Research Assistant at Queen Mary, said: “Solid alkanes are unusual because the molecules have a surprising amount of freedom. If you start from a perfect crystal and increase the temperature, the molecules suddenly gain the ability to rotate, with a motion similar to a restless sleeper tossing and turning in bed.”

“We have tested the most widely used methods to simulate these ‘rotator’ phases, finding that the Williams model from the 1960s was ahead of its time. Initially impractical due to a lack of computational power, it may now undergo a renaissance for modern molecular dynamics simulation. With our newly optimized model, we aim to study the rotator phase of hexadecane, found in the oil, which is hard to observe experimentally because of its unstable nature.”

Real-world applications

Like waxes, oils such as diesel fuel can also freeze at many stages and exhibit different solid properties. Therefore, methods to predict the molecular and atomic intricacies of liquid transitions to different types of ‘solid’ oils could have several potential real-world applications, from helping better predict freezing of oil pipelines (and preventing oil spills), to developing better smart insulation and energy storage.

Understanding solid transitions in wax could also lead to lighter, stronger-than-steel polymers, and help researchers to improve understanding of newly discovered processes like artificial morphogenesis. These could enable greener manufacturing processes so we could ‘grow’ matter as seen in nature, reducing side or waste products.

Dr. Stoyan Smoukov, Reader in Chemical Engineering at Queen Mary, said: “Being able to predict the transformation behavior of oils would help us in our quest to develop sustainable manufacturing processes for the future. Usual lithographic microfabrication is like sculpturing, cutting/chiseling away from a slab of marble, generating lots of waste. In our current grant, we are using novel processes to self-shape droplets and use nearly 100% of the starting material to literally grow shaped particles.”

“The process is highly scalable as each droplet shapes itself due to internal phase transitions. The efficient production of such particles could revolutionize industries from inkjet printing to drug delivery. And the modeling tools we’ve developed will help us tune this control on the molecular scale.”

French scientists explore the first images of the cosmic web, reveal a myriad of unsuspected dwarf galaxies

Although the filaments of gas in which galaxies are born to have long been predicted by cosmological models, we have so far had no real images of such objects. Now for the first time, several filaments of the 'cosmic web' have been directly observed using the MUSE instrument installed on ESO's Very Large Telescope in Chile. These observations of the early Universe, 1 to 2 billion years after the Big Bang, point to the existence of a multitude of hitherto unsuspected dwarf galaxies. Carried out by an international collaboration led by the Centre de Recherche Astrophysique de Lyon (CNRS/Université Lyon 1/ENS de Lyon), also involving the Lagrange laboratory (CNRS/Université Côte d'Azur/Observatoire de la Côte d'Azur), the study is published today in the academic journal Astronomy & Astrophysics.

The filamentary structure of hydrogen gas in which galaxies form, known as the cosmic web, is one of the major predictions of the model of the Big Bang and of galaxy formation. Until now, all that was known about the web was limited to a few specific regions, particularly in the direction of quasars, whose powerful radiation acts like car headlights, revealing gas clouds along the line of sight. However, these regions are poorly representative of the whole network of filaments where most galaxies, including our own, were born. Direct observation of the faint light emitted by the gas making up the filaments was a holy grail which has now been attained by an international team headed by Roland Bacon, the CNRS researcher at the Centre de Recherche Astrophysique de Lyon (CNRS/Université Lyon 1/ENS de Lyon). Figure 1: cosmological simulation of the distant Universe. The image shows the light emitted by hydrogen atoms in the cosmic web in a region roughly 15 million light years across.  In addition to the very weak emission from intergalactic gas, a number of point sources can be seen: these are galaxies in the process of forming their first stars. © Jeremy Blaizot

The team took the bold step of pointing ESO's Very Large Telescope, equipped with the MUSE instrument coupled to the telescope's adaptive optics system, at a single region of the sky for over 140 hours. Together, the two instruments form one of the most powerful systems in the world. The region selected forms part of the Hubble Ultra-Deep Field, which was until now the deepest image of the cosmos ever obtained. However, Hubble has now been surpassed, since 40% of the galaxies discovered by MUSE have no counterpart in the Hubble images.

After meticulous planning, it took eight months to carry out this exceptional observing campaign. This was followed by a year of data processing and analysis, which for the first time revealed light from the hydrogen filaments, as well as images of several filaments as they were one to two billion years after the Big Bang, a key period for understanding how galaxies formed from the gas in the cosmic web. However, the biggest surprise for the team was when simulations showed that the light from the gas came from a hitherto invisible population of billions of dwarf galaxies spawning a host of stars. Although these galaxies are too faint to be detected individually with current instruments, their existence will have major consequences for galaxy formation models, with implications that scientists are only just beginning to explore. Figure 2: the 2250 galaxies in the ‘cone’ of the Universe observed by MUSE are shown here according to the age of the Universe (in billions of years). The period of the early Universe (0.8 to 2.2 billion years after the Big Bang) explored in this study is shown in red.  The 22 regions with galaxy over-density are indicated by grey rectangles.  The 5 regions where filaments have been identified most prominently are shown in blue. © Roland Bacon / David Mary

Figure 3: one of the hydrogen filaments (in blue) discovered by MUSE in the Hubble Ultra-Deep Field. It is located in the constellation Fornax at a distance of 11.5 billion light years, and stretches across 15 million light years.  The image in the background is from Hubble.   © Roland Bacon, David Mary, ESO and NASA

Figure 4: cosmological simulation of a filament made up of hundreds of thousands of small galaxies. The image on the left shows the emissions produced by all the galaxies as it might be observed in situ. The image on the right shows the filament as it would be seen by MUSE. Even with a very long exposure time, the vast majority of the galaxies cannot be detected individually. However, the light from all these small galaxies is detected as a diffuse background, rather like the Milky Way when seen with the naked eye.   © Thibault Garel and Roland Bacon