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Deep Learning Helps Explore the Structural and Strategic Bases of Autism
Psychiatrists typically diagnose autism spectrum disorders (ASD) by observing a person’s behavior and by leaning on the Diagnostic and Statistical Manual of Mental Disorders (DSM-5), widely considered the “bible” of mental health diagnosis.
However, there are substantial differences amongst individuals on the spectrum and a great deal remains unknown by science about the causes of autism, or even what autism is. As a result, an accurate diagnosis of ASD and a prognosis prediction for patients can be extremely difficult.
But what if artificial intelligence (AI) could help? Deep learning, a type of AI, deploys artificial neural networks based on the human brain to recognize patterns in a way that is akin to, and in some cases can surpass, human ability. The technique, or rather suite of techniques, has enjoyed remarkable success in recent years in fields as diverse as voice recognition, translation, autonomous vehicles, and drug discovery.
A group of researchers from KAIST in collaboration with the Yonsei University College of Medicine has applied these deep learning techniques to autism diagnosis. Their findings were published on August 14 in the journal IEEE Access.
Magnetic resonance imaging (MRI) scans of brains of people known to have autism have been used by researchers and clinicians to try to identify structures of the brain they believed were associated with ASD. These researchers have achieved considerable success in identifying abnormal grey and white matter volume and irregularities in cerebral cortex activation and connections as being associated with the condition.
These findings have subsequently been deployed in studies attempting more consistent diagnoses of patients than has been achieved via psychiatrist observations during counseling sessions. While such studies have reported high levels of diagnostic accuracy, the number of participants in these studies has been small, often under 50, and diagnostic performance drops markedly when applied to large sample sizes or on datasets that include people from a wide variety of populations and locations.
“There was something as to what defines autism that human researchers and clinicians must have been overlooking,” said Keun-Ah Cheon, one of the two corresponding authors and a professor in Department of Child and Adolescent Psychiatry at Severance Hospital of the Yonsei University College of Medicine.
“And humans poring over thousands of MRI scans won’t be able to pick up on what we’ve been missing,” she continued. “But we thought AI might be able to.”
So the team applied five different categories of deep learning models to an open-source dataset of more than 1,000 MRI scans from the Autism Brain Imaging Data Exchange (ABIDE) initiative, which has collected brain imaging data from laboratories around the world, and to a smaller, but higher-resolution MRI image dataset (84 images) taken from the Child Psychiatric Clinic at Severance Hospital, Yonsei University College of Medicine. In both cases, the researchers used both structural MRIs (examining the anatomy of the brain) and functional MRIs (examining brain activity in different regions).
The models allowed the team to explore the structural bases of ASD brain region by brain region, focusing in particular on many structures below the cerebral cortex, including the basal ganglia, which are involved in motor function (movement) as well as learning and memory.
Crucially, these specific types of deep learning models also offered up possible explanations of how the AI had come up with its rationale for these findings.
“Understanding the way that the AI has classified these brain structures and dynamics is extremely important,” said Sang Wan Lee, the other corresponding author and an associate professor at KAIST. “It’s no good if a doctor can tell a patient that the computer says they have autism, but not be able to say why the computer knows that.”
The deep learning models were also able to describe how much a particular aspect contributed to ASD, an analysis tool that can assist psychiatric physicians during the diagnosis process to identify the severity of the autism.
“Doctors should be able to use this to offer a personalized diagnosis for patients, including a prognosis of how the condition could develop,” Lee said.
“Artificial intelligence is not going to put psychiatrists out of a job,” he explained. “But using AI as a tool should enable doctors to better understand and diagnose complex disorders than they could do on their own.”
-ProfileProfessor Sang Wan LeeDepartment of Bio and Brain EngineeringLaboratory for Brain and Machine Intelligence https://aibrain.kaist.ac.kr/
KAIST
2020.09.23 View 11391 -
Tinkering with Roundworm Proteins Offers Hope for Anti-aging Drugs
- The somatic nuclear protein kinase VRK-1 increases the worm’s lifespan through AMPK activation, and this mechanism can be applied to promoting human longevity, the study reveals. -
KAIST researchers have been able to dial up and down creatures’ lifespans by altering the activity of proteins found in roundworm cells that tell them to convert sugar into energy when their cellular energy is running low. Humans also have these proteins, offering up the intriguing possibilities for developing longevity-promoting drugs. These new findings were published on July 1 in Science Advances.
The roundworm Caenorhabditis elegans (C. elegans), a millimeter-long nematode commonly used in lab testing, enjoyed a boost in its lifespan when researchers tinkered with a couple of proteins involved in monitoring the energy use by its cells.
The proteins VRK-1 and AMPK work in tandem in roundworm cells, with the former telling the latter to get to work by sticking a phosphate molecule, composed of one phosphorus and four oxygen atoms, on it. In turn, AMPK’s role is to monitor energy levels in cells, when cellular energy is running low. In essence, VRK-1 regulates AMPK, and AMPK regulates the cellular energy status.
Using a range of different biological research tools, including introducing foreign genes into the worm, a group of researchers led by Professor Seung-Jae V. Lee from the Department of Biological Sciences at KAIST were able to dial up and down the activity of the gene that tells cells to produce the VRK-1 protein. This gene has remained pretty much unchanged throughout evolution. Most complex organisms have this same gene, including humans.
Lead author of the study Sangsoon Park and his colleagues confirmed that the overexpression, or increased production, of the VRK-1 protein boosted the lifespan of the C. elegans, which normally lives just two to three weeks, and the inhibition of VRK-1 production reduced its lifespan.
The research team found that the activity of the VRK-1-to-AMPK cellular-energy monitoring process is increased in low cellular energy status by reduced mitochondrial respiration, the set of metabolic chemical reactions that make use of the oxygen the worm breathes to convert macronutrients from food into the energy “currency” that cells spend to do everything they need to do.
It is already known that mitochondria, the energy-producing engine rooms in cells, play a crucial role in aging, and declines in the functioning of mitochondria are associated with age-related diseases. At the same time, the mild inhibition of mitochondrial respiration has been shown to promote longevity in a range of species, including flies and mammals.
When the research team performed similar tinkering with cultured human cells, they found they could also replicate this ramping up and down of the VRK-1-to-AMPK process that occurs in roundworms.
“This raises the intriguing possibility that VRK-1 also functions as a factor in governing human longevity, and so perhaps we can start developing longevity-promoting drugs that alter the activity of VRK-1,” explained Professor Lee.
At the very least, the research points us in an interesting direction for investigating new therapeutic strategies to combat metabolic disorders by targeting the modulation of VRK-1. Metabolic disorders involve the disruption of chemical reactions in the body, including diseases of the mitochondria.
But before metabolic disorder therapeutics or longevity drugs can be contemplated by scientists, further research still needs to be carried out to better understand how VRK-1 works to activate AMPK, as well as figure out the precise mechanics of how AMPK controls cellular energy.
This work was supported by the National Research Foundation (NRF), and the Ministry of Science and ICT (MSIT) of Korea.
Image credit: Seung-Jae V. LEE, KAIST.
Image usage restrictions: News organizations may use or redistribute this image, with proper attribution, as part of news coverage of this paper only.
Publication:
Park, S., et al. (2020) ‘VRK-1 extends life span by activation of AMPK via phosphorylation’. Science Advances, Volume 6. No. 27, eaaw7824. Available online at https://doi.org/10.1126/sciadv.aaw7824
Profile: Seung-Jae V. Lee, Ph.D.
Professor
seungjaevlee@kaist.ac.kr
https://sites.google.com/view/mgakaist
Molecular Genetics of Aging Laboratory
Department of Biological Sciences
Korea Advanced Institute of Science and Technology (KAIST)
https://www.kaist.ac.krDaejeon 34141, Korea
(END)
2020.07.31 View 12387 -
Atomic Force Microscopy Reveals Nanoscale Dental Erosion from Beverages
KAIST researchers used atomic force microscopy to quantitatively evaluate how acidic and sugary drinks affect human tooth enamel at the nanoscale level. This novel approach is useful for measuring mechanical and morphological changes that occur over time during enamel erosion induced by beverages.
Enamel is the hard-white substance that forms the outer part of a tooth. It is the hardest substance in the human body, even stronger than bone. Its resilient surface is 96 percent mineral, the highest percentage of any body tissue, making it durable and damage-resistant. The enamel acts as a barrier to protect the soft inner layers of the tooth, but can become susceptible to degradation by acids and sugars.
Enamel erosion occurs when the tooth enamel is overexposed to excessive consumption of acidic and sugary food and drinks. The loss of enamel, if left untreated, can lead to various tooth conditions including stains, fractures, sensitivity, and translucence. Once tooth enamel is damaged, it cannot be brought back. Therefore, thorough studies on how enamel erosion starts and develops, especially at the initial stages, are of high scientific and clinical relevance for dental health maintenance.
A research team led by Professor Seungbum Hong from the Department of Materials Science and Engineering at KAIST reported a new method of applying atomic force microscopy (AFM) techniques to study the nanoscale characterization of this early stage of enamel erosion. This study was introduced in the Journal of the Mechanical Behavior of Biomedical Materials (JMBBM) on June 29.
AFM is a very-high-resolution type of scanning probe microscopy (SPM), with demonstrated resolution on the order of fractions of a nanometer (nm) that is equal to one billionth of a meter. AFM generates images by scanning a small cantilever over the surface of a sample, and this can precisely measure the structure and mechanical properties of the sample, such as surface roughness and elastic modulus.
The co-lead authors of the study, Dr. Panpan Li and Dr. Chungik Oh, chose three commercially available popular beverages, Coca-Cola®, Sprite®, and Minute Maid® orange juice, and immersed tooth enamel in these drinks over time to analyze their impacts on human teeth and monitor the etching process on tooth enamel.
Five healthy human molars were obtained from volunteers between age 20 and 35 who visited the KAIST Clinic. After extraction, the teeth were preserved in distilled water before the experiment. The drinks were purchased and opened right before the immersion experiment, and the team utilized AFM to measure the surface topography and elastic modulus map.
The researchers observed that the surface roughness of the tooth enamel increased significantly as the immersion time increased, while the elastic modulus of the enamel surface decreased drastically. It was demonstrated that the enamel surface roughened five times more when it was immersed in beverages for 10 minutes, and that the elastic modulus of tooth enamel was five times lower after five minutes in the drinks.
Additionally, the research team found preferential etching in scratched tooth enamel. Brushing your teeth too hard and toothpastes with polishing particles that are advertised to remove dental biofilms can cause scratches on the enamel surface, which can be preferential sites for etching, the study revealed.
Professor Hong said, “Our study shows that AFM is a suitable technique to characterize variations in the morphology and mechanical properties of dental erosion quantitatively at the nanoscale level.”
This work was supported by the National Research Foundation (NRF), the Ministry of Science and ICT (MSIT), and the KUSTAR-KAIST Institute of Korea.
A dentist at the KAIST Clinic, Dr. Suebean Cho, Dr. Sangmin Shin from the Smile Well Dental, and Professor Kack-Kyun Kim at the Seoul National University School of Dentistry also collaborated in this project.
Publication:
Li, P., et al. (2020) ‘Nanoscale effects of beverages on enamel surface of human teeth: An atomic force microscopy study’. Journal of the Mechanical Behavior of Biomedical Materials (JMBBM), Volume 110. Article No. 103930. Available online at https://doi.org/10.1016/j.jmbbm.2020.103930
Profile: Seungbum Hong, Ph.D.
Associate Professor
seungbum@kaist.ac.kr
http://mii.kaist.ac.kr/
Materials Imaging and Integration (MII) Lab.
Department of Materials Science and Engineering (MSE)
Korea Advanced Institute of Science and Technology (KAIST)
https://www.kaist.ac.kr
Daejeon 34141, Korea
(END)
2020.07.21 View 12697 -
X-ray Scattering Shines Light on Protein Folding
- Multiple forms of a non-functional, unfolded protein follow different pathways and timelines to reach its folded, functional state, a study reveals. -
KAIST researchers have used an X-ray method to track how proteins fold, which could improve computer simulations of this process, with implications for understanding diseases and improving drug discovery. Their findings were reported in the Proceedings of the National Academy of Sciences of the United States of America (PNAS) on June 30.
When proteins are translated from their DNA codes, they quickly transform from a non-functional, unfolded state into their folded, functional state. Problems in folding can lead to diseases like Alzheimer’s and Parkinson’s.
“Protein folding is one of the most important biological processes, as it forms the functioning 3D protein structure,” explained the physical chemist Hyotcherl Ihee of the Department of Chemistry at KAIST. Dr. Tae Wu Kim, the lead author of this research from Ihee’s group, added, “Understanding the mechanisms of protein folding is important, and could pave the way for disease study and drug development.”
Ihee’s team developed an approach using an X-ray scattering technique to uncover how the protein cytochrome c folds from its initial unfolded state. This protein is composed of a chain of 104 amino acids with an iron-containing heme molecule. It is often used for protein folding studies.
The researchers placed the protein in a solution and shined ultraviolet light on it. This process provides electrons to cytochrome c, reducing the iron within it from the ferric to the ferrous form, which initiates folding. As this was happening, the researchers beamed X-rays at very short intervals onto the sample. The X-rays scattered off all the atomic pairs in the sample and a detector continuously recorded the X-ray scattering patterns. The X-ray scattering patterns provided direct information regarding the 3D protein structure and the changes made in these patterns over time showed real-time motion of the protein during the folding process.
The team found cytochrome c proteins initially exist in a wide variety of unfolded states. Once the folding process is triggered, they stop by a group of intermediates within 31.6 microseconds, and then those intermediates follow different pathways with different folding times to reach an energetically stable folded state.
“We don’t know if this diversity in folding paths can be generalized to other proteins,” Ihee confessed. He continued, “However, we believe that our approach can be used to study other protein folding systems.”
Ihee hopes this approach can improve the accuracy of models that simulate protein interactions by including information on their unstructured states. These simulations are important as they can help identify barriers to proper folding and predict a protein’s folded state given its amino acid sequence. Ultimately, the models could help clarify how some diseases develop and how drugs interact with various protein structures.
Ihee’s group collaborated with Professor Young Min Rhee at the KAIST Department of Chemistry, and this work was supported by the National Research Foundation of Korea (NRF) and the Institute for Basic Science (IBS).
Figure. The scientists found that non-functional unfolded forms of the protein cytochrome c follow different pathways and timelines to reach a stable functional folded state.
Publications:
Kim, T. W., et al. (2020) ‘Protein folding from heterogeneous unfolded state revealed by time-resolved X-ray solution scattering’. PNAS. Volume 117. Issue 26. Page 14996-15005. Available online at https://doi.org/10.1073/pnas.1913442117
Profile: Hyotcherl Ihee, Ph.D.
Professor
hyotcherl.ihee@kaist.ac.kr
http://time.kaist.ac.kr/
Ihee Laboratory
Department of Chemistry
KAIST
https://www.kaist.ac.kr
Daejeon 34141, Korea
Profile: Young Min Rhee, Ph.D.
Professor
ymrhee@kaist.ac.kr
http://singlet.kaist.ac.kr
Rhee Research Group
Department of Chemistry
KAIST
https://www.kaist.ac.kr
Daejeon 34141, Korea
(END)
2020.07.09 View 15032 -
Every Moment of Ultrafast Chemical Bonding Now Captured on Film
- The emerging moment of bond formation, two separate bonding steps, and subsequent vibrational motions were visualized. -
< Emergence of molecular vibrations and the evolution to covalent bonds observed in the research. Video Credit: KEK IMSS >
A team of South Korean researchers led by Professor Hyotcherl Ihee from the Department of Chemistry at KAIST reported the direct observation of the birthing moment of chemical bonds by tracking real-time atomic positions in the molecule. Professor Ihee, who also serves as Associate Director of the Center for Nanomaterials and Chemical Reactions at the Institute for Basic Science (IBS), conducted this study in collaboration with scientists at the Institute of Materials Structure Science of High Energy Accelerator Research Organization (KEK IMSS, Japan), RIKEN (Japan), and Pohang Accelerator Laboratory (PAL, South Korea). This work was published in Nature on June 24.
Targeted cancer drugs work by striking a tight bond between cancer cell and specific molecular targets that are involved in the growth and spread of cancer. Detailed images of such chemical bonding sites or pathways can provide key information necessary for maximizing the efficacy of oncogene treatments. However, atomic movements in a molecule have never been captured in the middle of the action, not even for an extremely simple molecule such as a triatomic molecule, made of only three atoms.
Professor Ihee's group and their international collaborators finally succeeded in capturing the ongoing reaction process of the chemical bond formation in the gold trimer. "The femtosecond-resolution images revealed that such molecular events took place in two separate stages, not simultaneously as previously assumed," says Professor Ihee, the corresponding author of the study. "The atoms in the gold trimer complex atoms remain in motion even after the chemical bonding is complete. The distance between the atoms increased and decreased periodically, exhibiting the molecular vibration. These visualized molecular vibrations allowed us to name the characteristic motion of each observed vibrational mode." adds Professor Ihee.
Atoms move extremely fast at a scale of femtosecond (fs) ― quadrillionths (or millionths of a billionth) of a second. Its movement is minute in the level of angstrom equal to one ten-billionth of a meter. They are especially elusive during the transition state where reaction intermediates are transitioning from reactants to products in a flash. The KAIST-IBS research team made this experimentally challenging task possible by using femtosecond x-ray liquidography (solution scattering). This experimental technique combines laser photolysis and x-ray scattering techniques. When a laser pulse strikes the sample, X-rays scatter and initiate the chemical bond formation reaction in the gold trimer complex. Femtosecond x-ray pulses obtained from a special light source called an x-ray free-electron laser (XFEL) were used to interrogate the bond-forming process. The experiments were performed at two XFEL facilities (4th generation linear accelerator) that are PAL-XFEL in South Korea and SACLA in Japan, and this study was conducted in collaboration with researchers from KEK IMSS, PAL, RIKEN, and the Japan Synchrotron Radiation Research Institute (JASRI).
Scattered waves from each atom interfere with each other and thus their x-ray scattering images are characterized by specific travel directions. The KAIST-IBS research team traced real-time positions of the three gold atoms over time by analyzing x-ray scattering images, which are determined by a three-dimensional structure of a molecule. Structural changes in the molecule complex resulted in multiple characteristic scattering images over time. When a molecule is excited by a laser pulse, multiple vibrational quantum states are simultaneously excited. The superposition of several excited vibrational quantum states is called a wave packet. The researchers tracked the wave packet in three-dimensional nuclear coordinates and found that the first half round of chemical bonding was formed within 35 fs after photoexcitation. The second half of the reaction followed within 360 fs to complete the entire reaction dynamics.
They also accurately illustrated molecular vibration motions in both temporal- and spatial-wise. This is quite a remarkable feat considering that such an ultrafast speed and a minute length of motion are quite challenging conditions for acquiring precise experimental data.
In this study, the KAIST-IBS research team improved upon their 2015 study published by Nature. In the previous study in 2015, the speed of the x-ray camera (time resolution) was limited to 500 fs, and the molecular structure had already changed to be linear with two chemical bonds within 500 fs. In this study, the progress of the bond formation and bent-to-linear structural transformation could be observed in real time, thanks to the improvement time resolution down to 100 fs. Thereby, the asynchronous bond formation mechanism in which two chemical bonds are formed in 35 fs and 360 fs, respectively, and the bent-to-linear transformation completed in 335 fs were visualized. In short, in addition to observing the beginning and end of chemical reactions, they reported every moment of the intermediate, ongoing rearrangement of nuclear configurations with dramatically improved experimental and analytical methods.
They will push this method of 'real-time tracking of atomic positions in a molecule and molecular vibration using femtosecond x-ray scattering' to reveal the mechanisms of organic and inorganic catalytic reactions and reactions involving proteins in the human body. "By directly tracking the molecular vibrations and real-time positions of all atoms in a molecule in the middle of reaction, we will be able to uncover mechanisms of various unknown organic and inorganic catalytic reactions and biochemical reactions," notes Dr. Jong Goo Kim, the lead author of the study.
Publications:
Kim, J. G., et al. (2020) ‘Mapping the emergence of molecular vibrations mediating bond formation’. Nature. Volume 582. Page 520-524. Available online at https://doi.org/10.1038/s41586-020-2417-3
Profile: Hyotcherl Ihee, Ph.D.
Professor
hyotcherl.ihee@kaist.ac.kr
http://time.kaist.ac.kr/
Ihee Laboratory
Department of Chemistry
KAIST
https://www.kaist.ac.kr
Daejeon 34141, Korea
(END)
2020.06.24 View 17545 -
Energy Storage Using Oxygen to Boost Battery Performance
Researchers have presented a novel electrode material for advanced energy storage device that is directly charged with oxygen from the air. Professor Jeung Ku Kang’s team synthesized and preserved the sub-nanometric particles of atomic cluster sizes at high mass loadings within metal-organic frameworks (MOF) by controlling the behavior of reactants at the molecular level. This new strategy ensures high performance for lithium-oxygen batteries, acclaimed as a next-generation energy storage technology and widely used in electric vehicles.
Lithium-oxygen batteries in principle can generate ten times higher energy densities than conventional lithium-ion batteries, but they suffer from very poor cyclability. One of the methods to improve cycle stability is to reduce the overpotential of electrocatalysts in cathode electrodes. When the size of an electrocatalyst material is reduced to the atomic level, the increased surface energy leads to increased activity while significantly accelerating the material’s agglomeration.
As a solution to this challenge, Professor Kang from the Department of Materials Science and Engineering aimed to maintain the improved activity by stabilizing atomic-scale sized electrocatalysts into the sub-nanometric spaces. This is a novel strategy for simultaneously producing and stabilizing atomic-level electrocatalysts within metal-organic frameworks (MOFs).
Metal-organic frameworks continuously assemble metal ions and organic linkers.
The team controlled hydrogen affinities between water molecules to separate them and transfer the isolated water molecules one by one through the sub-nanometric pores of MOFs. The transferred water molecules reacted with cobalt ions to form di-nuclear cobalt hydroxide under precisely controlled synthetic conditions, then the atomic-level cobalt hydroxide is stabilized inside the sub-nanometric pores.
The di-nuclear cobalt hydroxide that is stabilized in the sub-nanometric pores of metal-organic frameworks (MOFs) reduced the overpotential by 63.9% and showed ten-fold improvements in the life cycle.
Professor Kang said, “Simultaneously generating and stabilizing atomic-level electrocatalysts within MOFs can diversify materials according to numerous combinations of metal and organic linkers. It can expand not only the development of electrocatalysts, but also various research fields such as photocatalysts, medicine, the environment, and petrochemicals.”
This study was reported in Advanced Science (Title: Autogenous Production and Stabilization of Highly Loaded Sub-Nanometric Particles within Multishell Hollow Metal-Organic Frameworks and Their Utilization for High Performance in Li-O2 Batteries).
This research was mainly supported by the Global Frontier R&D Program of the Ministry of Science, ICT & Planning (Grant No. 2013M3A6B1078884) funded by the Ministry of Science, ICT & Future Planning, and the National Research Foundation of Korea (Grant No. 2019M3E6A1104196).
Profile:Professor Jeung Ku Kang
jeungku@kaist.ac.kr
http://nanosf.kaist.ac.kr/
Nano Materials Simulation and Fabrication Laboratory
Department of Materials Science and Engineering
KAIST
2020.06.15 View 12997 -
From Dark to Light in a Flash: Smart Film Lets Windows Switch Autonomously
Researchers have developed a new easy-to-use smart optical film technology that allows smart window devices to autonomously switch between transparent and opaque states in response to the surrounding light conditions.
The proposed 3D hybrid nanocomposite film with a highly periodic network structure has empirically demonstrated its high speed and performance, enabling the smart window to quantify and self-regulate its high-contrast optical transmittance. As a proof of concept, a mobile-app-enabled smart window device for Internet of Things (IoT) applications has been realized using the proposed smart optical film with successful expansion to the 3-by-3-inch scale. This energy-efficient and cost-effective technology holds great promise for future use in various applications that require active optical transmission modulation.
Flexible optical transmission modulation technologies for smart applications including privacy-protection windows, zero-energy buildings, and beam projection screens have been in the spotlight in recent years. Conventional technologies that used external stimuli such as electricity, heat, or light to modulate optical transmission had only limited applications due to their slow response speeds, unnecessary color switching, and low durability, stability, and safety.
The optical transmission modulation contrast achieved by controlling the light scattering interfaces on non-periodic 2D surface structures that often have low optical density such as cracks, wrinkles, and pillars is also generally low. In addition, since the light scattering interfaces are exposed and not subject to any passivation, they can be vulnerable to external damage and may lose optical transmission modulation functions. Furthermore, in-plane scattering interfaces that randomly exist on the surface make large-area modulation with uniformity difficult.
Inspired by these limitations, a KAIST research team led by Professor Seokwoo Jeon from the Department of Materials Science and Engineering and Professor Jung-Wuk Hong of the Civil and Environmental Engineering Department used proximity-field nanopatterning (PnP) technology that effectively produces highly periodic 3D hybrid nanostructures, and an atomic layer deposition (ALD) technique that allows the precise control of oxide deposition and the high-quality fabrication of semiconductor devices.
The team then successfully produced a large-scale smart optical film with a size of 3 by 3 inches in which ultrathin alumina nanoshells are inserted between the elastomers in a periodic 3D nanonetwork.
This “mechano-responsive” 3D hybrid nanocomposite film with a highly periodic network structure is the largest smart optical transmission modulation film that exists. The film has been shown to have state-of-the-art optical transmission modulation of up to 74% at visible wavelengths from 90% initial transmission to 16% in the scattering state under strain. Its durability and stability were proved by more than 10,000 tests of harsh mechanical deformation including stretching, releasing, bending, and being placed under high temperatures of up to 70°C. When this film was used, the transmittance of the smart window device was adjusted promptly and automatically within one second in response to the surrounding light conditions. Through these experiments, the underlying physics of optical scattering phenomena occurring in the heterogeneous interfaces were identified. Their findings were reported in the online edition of Advanced Science on April 26. KAIST Professor Jong-Hwa Shin’s group and Professor Young-Seok Shim at Silla University also collaborated on this project.
Donghwi Cho, a PhD candidate in materials science and engineering at KAIST and co-lead author of the study, said, “Our smart optical film technology can better control high-contrast optical transmittance by relatively simple operating principles and with low energy consumption and costs.”
“When this technology is applied by simply attaching the film to a conventional smart window glass surface without replacing the existing window system, fast switching and uniform tinting are possible while also securing durability, stability, and safety. In addition, its wide range of applications for stretchable or rollable devices such as wall-type displays for a beam projection screen will also fulfill aesthetic needs,” he added.
This work was supported by the National Research Foundation of Korea (NRF), and the Korean Ministries of Science, ICT and Future Planning (MSIP), and Science and ICT (MSIT).
Publication:
Cho, D, et al. (2020) ‘High-Contrast Optical Modulation from Strain-Indicated Nanogaps at 3D Heterogeneous Interfaces’ Advanced Science, 1903708. Available online at https://doi.org/10.1002/advs.201903708
Profile: Seokwoo Jeon, PhD
Professor
jeon39@kaist.ac.kr
https://fdml.kaist.ac.kr/
Flexible Device and Metamaterials Lab (FDML)
Department of Materials Science and Engineering (MSE)
Korea Advanced Institute of Science and Technology (KAIST)
https://www.kaist.ac.krDaejeon 34141, Korea
Profile: Jung-Wuk Hong, PhD
Associate Professor
j.hong@kaist.ac.kr
http://aaml.kaist.ac.kr
Advanced Applied Mechanics Laboratory (AAML)
Department of Civil and Environmental Engineering
KAIST
Profile: Donghwi Cho
PhD Candidate
roy0202@kaist.ac.krFDML, MSE, KAIST
Profile: Young-Seok Shim, PhD
Assistant Professor
ysshim@silla.ac.kr
Division of Materials Science and Engineering Silla University
https://www.silla.ac.kr
Busan 46958, Korea
(END)
2020.06.02 View 13537 -
Visualization of Functional Components to Characterize Optimal Composite Electrodes
Researchers have developed a visualization method that will determine the distribution of components in battery electrodes using atomic force microscopy. The method provides insights into the optimal conditions of composite electrodes and takes us one step closer to being able to manufacture next-generation all-solid-state batteries.
Lithium-ion batteries are widely used in smart devices and vehicles. However, their flammability makes them a safety concern, arising from potential leakage of liquid electrolytes.
All-solid-state lithium ion batteries have emerged as an alternative because of their better safety and wider electrochemical stability. Despite their advantages, all-solid-state lithium ion batteries still have drawbacks such as limited ion conductivity, insufficient contact areas, and high interfacial resistance between the electrode and solid electrolyte.
To solve these issues, studies have been conducted on composite electrodes in which lithium ion conducting additives are dispersed as a medium to provide ion conductive paths at the interface and increase the overall ionic conductivity.
It is very important to identify the shape and distribution of the components used in active materials, ion conductors, binders, and conductive additives on a microscopic scale for significantly improving the battery operation performance.
The developed method is able to distinguish regions of each component based on detected signal sensitivity, by using various modes of atomic force microscopy on a multiscale basis, including electrochemical strain microscopy and lateral force microscopy.
For this research project, both conventional electrodes and composite electrodes were tested, and the results were compared. Individual regions were distinguished and nanoscale correlation between ion reactivity distribution and friction force distribution within a single region was determined to examine the effect of the distribution of binder on the electrochemical strain.
The research team explored the electrochemical strain microscopy amplitude/phase and lateral force microscopy friction force dependence on the AC drive voltage and the tip loading force, and used their sensitivities as markers for each component in the composite anode.
This method allows for direct multiscale observation of the composite electrode in ambient condition, distinguishing various components and measuring their properties simultaneously.
Lead author Dr. Hongjun Kim said, “It is easy to prepare the test sample for observation while providing much higher spatial resolution and intensity resolution for detected signals.” He added, “The method also has the advantage of providing 3D surface morphology information for the observed specimens.”
Professor Seungbum Hong from the Department of Material Sciences and Engineering said, “This analytical technique using atomic force microscopy will be useful for quantitatively understanding what role each component of a composite material plays in the final properties.”
“Our method not only will suggest the new direction for next-generation all-solid-state battery design on a multiscale basis but also lay the groundwork for innovation in the manufacturing process of other electrochemical materials.”
This study is published in ACS Applied Energy Materials and supported by the Big Science Research and Development Project under the Ministry of Science and ICT and the National Research Foundation of Korea, the Basic Research Project under the Wearable Platform Materials Technology Center, and KAIST Global Singularity Research Program for 2019 and 2020.
Publication:Kim, H, et al. (2020) ‘Visualization of Functional Components in a Lithium Silicon Titanium Phosphate-Natural Graphite Composite Anode’. ACS Applied Energy Materials, Volume 3, Issue 4, pp. 3253-3261. Available online at https://doi.org/10.1021/acsaem.9b02045
Profile:
Seungbum Hong
Professor
seungbum@kaist.ac.kr
http://mii.kaist.ac.kr/
Materials Imaging and Integration Laboratory
Department of Material Sciences and Engineering
KAIST
2020.05.22 View 10237 -
A Theoretical Boost to Nano-Scale Devices
- Researchers calculate the quasi-Fermi levels in molecular junctions applying an initio approach. -
Semiconductor companies are struggling to develop devices that are mere nanometers in size, and much of the challenge lies in being able to more accurately describe the underlying physics at that nano-scale. But a new computational approach that has been in the works for a decade could break down these barriers.
Devices using semiconductors, from computers to solar cells, have enjoyed tremendous efficiency improvements in the last few decades. Famously, one of the co-founders of Intel, Gordon Moore, observed that the number of transistors in an integrated circuit doubles about every two years—and this ‘Moore’s law’ held true for some time.
In recent years, however, such gains have slowed as firms that attempt to engineer nano-scale transistors hit the limits of miniaturization at the atomic level.
Researchers with the School of Electrical Engineering at KAIST have developed a new approach to the underlying physics of semiconductors.
“With open quantum systems as the main research target of our lab, we were revisiting concepts that had been taken for granted and even appear in standard semiconductor physics textbooks such as the voltage drop in operating semiconductor devices,” said the lead researcher Professor Yong-Hoon Kim. “Questioning how all these concepts could be understood and possibly revised at the nano-scale, it was clear that there was something incomplete about our current understanding.”
“And as the semiconductor chips are being scaled down to the atomic level, coming up with a better theory to describe semiconductor devices has become an urgent task.”
The current understanding states that semiconductors are materials that act like half-way houses between conductors, like copper or steel, and insulators, like rubber or Styrofoam. They sometimes conduct electricity, but not always. This makes them a great material for intentionally controlling the flow of current, which in turn is useful for constructing the simple on/off switches—transistors—that are the foundation of memory and logic devices in computers.
In order to ‘switch on’ a semiconductor, a current or light source is applied, exciting an electron in an atom to jump from what is called a ‘valence band,’ which is filled with electrons, up to the ‘conduction band,’ which is originally unfilled or only partially filled with electrons. Electrons that have jumped up to the conduction band thanks to external stimuli and the remaining ‘holes’ are now able to move about and act as charge carriers to flow electric current.
The physical concept that describes the populations of the electrons in the conduction band and the holes in the valence band and the energy required to make this jump is formulated in terms of the so-called ‘Fermi level.’ For example, you need to know the Fermi levels of the electrons and holes in order to know what amount of energy you are going to get out of a solar cell, including losses.
But the Fermi level concept is only straightforwardly defined so long as a semiconductor device is at equilibrium—sitting on a shelf doing nothing—and the whole point of semiconductor devices is not to leave them on the shelf.
Some 70 years ago, William Shockley, the Nobel Prize-winning co-inventor of the transistor at the Bell Labs, came up with a bit of a theoretical fudge, the ‘quasi-Fermi level,’ or QFL, enabling rough prediction and measurement of the interaction between valence band holes and conduction band electrons, and this has worked pretty well until now.
“But when you are working at the scale of just a few nanometers, the methods to theoretically calculate or experimentally measure the splitting of QFLs were just not available,” said Professor Kim.
This means that at this scale, issues such as errors relating to voltage drop take on much greater significance.
Kim’s team worked for nearly ten years on developing a novel theoretical description of nano-scale quantum electron transport that can replace the standard method—and the software that allows them to put it to use. This involved the further development of a bit of math known as the Density Functional Theory that simplifies the equations describing the interactions of electrons, and which has been very useful in other fields such as high-throughput computational materials discovery.
For the first time, they were able to calculate the QFL splitting, offering a new understanding of the relationship between voltage drop and quantum electron transport in atomic scale devices.
In addition to looking into various interesting non-equilibrium quantum phenomena with their novel methodology, the team is now further developing their software into a computer-aided design tool to be used by semiconductor companies for developing and fabricating advanced semiconductor devices.
The study, featured at the Proceedings of the National Academy of Sciences of the USA on May 12, was supported by the National Research Foundation and the Korea Institute of Science and Technology Information Supercomputing Center.
Image caption: The newly developed formalism and QFL splitting analysis led to new ways of characterizing extremely scaled-down semiconductor devices and the technology computer-aided design (TCAD) of next- generation nano-electronic/energy/bio devices.
Image credit: Yong-Hoon Kim, KAIST
Image usage restrictions: News organizations may use or redistribute this image, with proper attribution, as part of news coverage of this paper only.
Publication:
Juho Lee, Hyeonwoo Yeo, and Yong-Hoon Kim. (2020) ‘Quasi-Fermi level splitting in nanoscale junctions from ab initio.’ Proceedings of the National Academy of Sciences of the United States of America (PNAS), Volume 117, Issue 19, pp.10142-101488. Available online at https://doi.org/10.1073/pnas.1921273117
Profile:
Yong-Hoon Kim
Professor
y.h.kim@kaist.ac.kr
http://nanocore.kaist.ac.kr/
1st-Principles Nano-Device Computing Lab
School of Electrical Engineering
KAIST
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2020.05.15 View 8986 -
Highly Efficient and Stable Double Layer Solar Cell Developed
Solar cells convert light into energy, but they can be inefficient and vulnerable to the environment, degrading with, ironically, too much light or other factors, including moisture and low temperature. An international research team has developed a new type of solar cell that can both withstand environmental hazards and is 26.7% efficient in power conversion.
They published their results on March 26 in Science.
The researchers, led by Byungha Shin, a professor from the Department of Materials Science and Engineering at KAIST, focused on developing a new class of light-absorbing material, called a wide bandgap perovskite. The material has a highly effective crystal structure that can process the power needs, but it can become problematic when exposed to environmental hazards, such as moisture. Researchers have made some progress increasing the efficiency of solar cells based on perovskite, but the material has greater potential than what was previously achieved.
To achieve better performance, Shin and his team built a double layer solar cell, called tandem, in which two or more light absorbers are stacked together to better utilize solar energy. To use perovskite in these tandem devices, the scientists modified the material’s optical property, which allows it to absorb a wider range of solar energy. Without the adjustment, the material is not as useful in achieving high performing tandem solar cells. The modification of the optical property of perovskite, however, comes with a penalty — the material becomes hugely vulnerable to the environment, in particular, to light.
To counteract the wide bandgap perovskite’s delicate nature, the researchers engineered combinations of molecules composing a two-dimensional layer in the perovskite, stabilizing the solar cells.
“We developed a high-quality wide bandgap perovskite material and, in combination with silicon solar cells, achieved world-class perovskite-silicon tandem cells,” Shin said.
The development was only possible due to the engineering method, in which the mixing ratio of the molecules building the two-dimensional layer are carefully controlled. In this case, the perovskite material not only improved efficiency of the resulting solar cell but also gained durability, retaining 80% of its initial power conversion capability even after 1,000 hours of continuous illumination. This is the first time such a high efficiency has been achieved with a wide bandgap perovskite single layer alone, according to Shin.
“Such high-efficiency wide bandgap perovskite is an essential technology for achieving ultra-high efficiency of perovskite-silicon tandem (double layer) solar cells,” Shin said. “The results also show the importance of bandgap matching of upper and lower cells in these tandem solar cells.”
The researchers, having stabilized the wide bandgap perovskite material, are now focused on developing even more efficient tandem solar cells that are expected to have more than 30% of power conversion efficiency, something that no one has achieved yet,
“Our ultimate goal is to develop ultra-high-efficiency tandem solar cells that contribute to the increase of shared solar energy among all energy sources,” Shin said. “We want to contribute to making the planet healthier.”
This work was supported by the National Research Foundation of Korea, the Korea Institute of Energy Technology Evaluation and Planning, the Ministry of Trade Industry and Energy of Korea, and the U.S. Department of Energy.
Other contributors include Daehan Kim, Jekyung Kim, Passarut Boonmongkolras, Seong Ryul Pae and Minkyu Kim, all of whom affiliated with the Department of Materials Science and Engineering at KAIST. Other authors include Byron W. Larson, Sean P. Dunfield, Chuanxiao Xiao, Jinhui Tong, Fei Zhang, Joseph J. Berry, Kai Zhu and Dong Hoe Kim, all of who are affiliated with the National Renewable Energy Laboratory in Colorado. Dunfield is also affiliated with the Materials Science and Engineering Program at the University of Colorado; Berry is also affiliated with the Department of Physics and the Renewable and Sustainable Energy Institute at the University of Colorado Boulder; and Kim is also affiliated with the Department of Nanotechnology and Advanced Materials Engineering at Sejong University. Hee Joon Jung and Vinayak Dravid of the Department of Materials Science and Engineering at Northwestern University; Ik Jae Park, Su Geun Ji and Jin Young Kim of the Department of Materials Science and Engineering at Seoul National University; and Seok Beom Kang of the Department of Nanotechnology and Advanced Materials Engineering of Sejong University also contributed.
Image credit: Professor Byungha Shin, KAIST
Image usage restrictions: News organizations may use or redistribute this image, with proper attribution, as part of news coverage of this paper only.
Publication: Kim et al. (2020) “Efficient, stable silicon tandem cells enabled by anion-engineered wide band gap perovskites”. Science. Available online at https://doi.org/10.1126/science.aba3433
Profile:
Byungha Shin
Professor
byungha@kaist.ac.kr
http://energymatlab.kaist.ac.kr/
Department of Materials Science and Engineering
KAIST
Profile:
Daehan Kim
Ph.D. Candidate
zxzx4592@kaist.ac.kr
http://energymatlab.kaist.ac.kr/
Department of Materials Science and Engineering
KAIST
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2020.03.27 View 20600 -
Scientists Observe the Elusive Kondo Screening Cloud
Scientists ended a 50-year quest by directly observing a quantum phenomenon
An international research group of Professor Heung-Sun Sim has ended a 50-year quest by directly observing a quantum phenomenon known as a Kondo screening cloud. This research, published in Nature on March 11, opens a novel way to engineer spin screening and entanglement. According to the research, the cloud can mediate interactions between distant spins confined in quantum dots, which is a necessary protocol for semiconductor spin-based quantum information processing. This spin-spin interaction mediated by the Kondo cloud is unique since both its strength and sign (two spins favor either parallel or anti-parallel configuration) are electrically tunable, while conventional schemes cannot reverse the sign.
This phenomenon, which is important for many physical phenomena such as dilute magnetic impurities and spin glasses, is essentially a cloud that masks magnetic impurities in a material. It was known to exist but its spatial extension had never been observed, creating controversy over whether such an extension actually existed.
Magnetism arises from a property of electrons known as spin, meaning that they have angular momentum aligned in one of either two directions, conventionally known as up and down. However, due to a phenomenon known as the Kondo effect, the spins of conduction electrons—the electrons that flow freely in a material—become entangled with a localized magnetic impurity, and effectively screen it. The strength of this spin coupling, calibrated as a temperature, is known as the Kondo temperature.
The size of the cloud is another important parameter for a material containing multiple magnetic impurities because the spins in the cloud couple with one another and mediate the coupling between magnetic impurities when the clouds overlap. This happens in various materials such as Kondo lattices, spin glasses, and high temperature superconductors.
Although the Kondo effect for a single magnetic impurity is now a text-book subject in many-body physics, detection of its key object, the Kondo cloud and its length, has remained elusive despite many attempts during the past five decades. Experiments using nuclear magnetic resonance or scanning tunneling microscopy, two common methods for understanding the structure of matter, have either shown no signature of the cloud, or demonstrated a signature only at a very short distance, less than 1 nanometer, so much shorter than the predicted cloud size, which was in the micron range.
In the present study, the authors observed a Kondo screening cloud formed by an impurity defined as a localized electron spin in a quantum dot—a type of “artificial atom”—coupled to quasi-one-dimensional conduction electrons, and then used an interferometer to measure changes in the Kondo temperature, allowing them to investigate the presence of a cloud at the interferometer end.
Essentially, they slightly perturbed the conduction electrons at a location away from the quantum dot using an electrostatic gate. The wave of conducting electrons scattered by this perturbation returned back to the quantum dot and interfered with itself. This is similar to how a wave on a water surface being scattered by a wall forms a stripe pattern. The Kondo cloud is a quantum mechanical object which acts to preserve the wave nature of electrons inside the cloud.
Even though there is no direct electrostatic influence of the perturbation on the quantum dot, this interference modifies the Kondo signature measured by electron conductance through the quantum dot if the perturbation is present inside the cloud. In the study, the researchers found that the length as well as the shape of the cloud is universally scaled by the inverse of the Kondo temperature, and that the cloud’s size and shape were in good agreement with theoretical calculations.
Professor Sim at the Department of Physics proposed the method for detecting the Kondo cloud in the co-research with the RIKEN Center for Emergent Matter Science, the City University of Hong Kong, the University of Tokyo, and Ruhr University Bochum in Germany.
Professor Sim said, “The observed spin cloud is a micrometer-size object that has quantum mechanical wave nature and entanglement. This is why the spin cloud has not been observed despite a long search. It is remarkable in a fundamental and technical point of view that such a large quantum object can now be created, controlled, and detected.
Dr. Michihisa Yamamoto of the RIKEN Center for Emergent Matter Science also said, “It is very satisfying to have been able to obtain real space image of the Kondo cloud, as it is a real breakthrough for understanding various systems containing multiple magnetic impurities. The size of the Kondo cloud in semiconductors was found to be much larger than the typical size of semiconductor devices.”
Publication:
Borzenets et al. (2020) Observation of the Kondo screening cloud. Nature, 579. pp.210-213. Available online at https://doi.org/10.1038/s41586-020-2058-6
Profile:
Heung-Sun Sim, PhD
Professor
hssim@kaist.ac.kr
https://qet.kaist.ac.kr/
Quantum Electron Correlation & Transport Theory Group (QECT Lab)
https://qc.kaist.ac.kr/index.php/group1/
Center for Quantum Coherence In COndensed Matter
Department of Physics
https://www.kaist.ac.kr
Korea Advanced Institute of Science and Technology (KAIST)
Daejeon, Republic of Korea
2020.03.13 View 15824 -
New Graphene-Based Metasurface Capable of Independent Amplitude and Phase Control of Light
Researchers described a new strategy of designing metamolecules that incorporates two independently controllable subwavelength meta-atoms. This two-parametric control of the metamolecule secures the complete control of both amplitude and the phase of light.
A KAIST research team in collaboration with the University of Wisconsin-Madison theoretically suggested a graphene-based active metasurface capable of independent amplitude and phase control of mid-infrared light. This research gives a new insight into modulating the mid-infrared wavefront with high resolution by solving the problem of the independent control of light amplitude and phase, which has remained a long-standing challenge.
Light modulation technology is essential for developing future optical devices such as holography, high-resolution imaging, and optical communication systems. Liquid crystals and a microelectromechanical system (MEMS) have previously been utilized to modulate light. However, both methods suffer from significantly limited driving speeds and unit pixel sizes larger than the diffraction limit, which consequently prevent their integration into photonic systems.
The metasurface platform is considered a strong candidate for the next generation of light modulation technology. Metasurfaces have optical properties that natural materials cannot have, and can overcome the limitations of conventional optical systems, such as forming a high-resolution image beyond the diffraction limit. In particular, the active metasurface is regarded as a technology with a wide range of applications due to its tunable optical characteristics with an electrical signal.
However, the previous active metasurfaces suffered from the inevitable correlation between light amplitude control and phase control. This problem is caused by the modulation mechanism of conventional metasurfaces. Conventional metasurfaces have been designed such that a metaatom only has one resonance condition, but a single resonant design inherently lacks the degrees of freedom to independently control the amplitude and phase of light.
The research team made a metaunit by combining two independently controllable metaatoms, dramatically improving the modulation range of active metasurfaces. The proposed metasurface can control the amplitude and phase of the mid-infrared light independently with a resolution beyond the diffraction limit, thus allowing complete control of the optical wavefront.
The research team theoretically confirmed the performance of the proposed active metasurface and the possibility of wavefront shaping using this design method. Furthermore, they developed an analytical method that can approximate the optical properties of metasurfaces without complex electromagnetic simulations. This analytical platform proposes a more intuitive and comprehensively applicable metasurface design guideline.
The proposed technology is expected to enable accurate wavefront shaping with a much higher spatial resolution than existing wavefront shaping technologies, which will be applied to active optical systems such as mid-infrared holography, high-speed beam steering devices that can be applied for LiDAR, and variable focus infrared lenses.
Professor Min Seok Jang commented, "This study showed the independent control amplitude and phase of light, which has been a long-standing quest in light modulator technology. The development of optical devices using complex wavefront control is expected to become more active in the future."
MS candidate Sangjun Han and Dr. Seyoon Kim of the University of Wisconsin-Madison are the co-first authors of the research, which was published and selected as the front cover of the January 28 edition of ACS Nano titled “Complete complex amplitude modulation with electronically tunable graphene plasmonic metamolecules.”
This research was funded by the Samsung Research Funding & Incubation Center for Future Technology.
Publication:
Han et al. (2020) Complete Complex Amplitude Modulation with Electronically Tunable Graphene Plasmonic Metamolecules. ACS Nano, Vol. 14, Issue 1, pp. 1166-1175. Available online at https://doi.org/10.1021/acsnano.9b09277
Profile: Prof. Min Seok Jang, MS, PhD
jang.minseok@kaist.ac.kr
http://jlab.kaist.ac.kr/
Associate Professor
Jang Research Group
School of Electrical Engineering
Korea Advanced Institute of Science and Technology (KAIST)
http://kaist.ac.kr
Daejeon, Republic of Korea
Profile: Sangjun Han
sangjun.han@kaist.ac.kr
MS Candidate
School of Electrical Engineering
Korea Advanced Institute of Science and Technology (KAIST)
http://kaist.ac.kr
Daejeon, Republic of Korea
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2020.02.20 View 9578