1,185 results match your criteria: "Institute of High Performance Computing[Affiliation]"

Enhancing electrocatalytic performance through structural and compositional engineering attracts considerable attention. However, most materials only function as pre-catalysts and convert into "real catalysts" during electrochemical reactions. Such transition involves dramatic structural and compositional changes and disrupts their designed properties.

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The presence of toxic organic pollutants in aquatic environments poses significant threats to human health and global ecosystems. Photocatalysis that enables in situ production and activation of H O presents a promising approach for pollutant removal; however, the processes of H O production and activation potentially compete for active sites and charge carriers on the photocatalyst surface, leading to limited catalytic performance. Herein, a hierarchical 2D/2D heterojunction nanosphere composed of ultrathin BiOBr and BiOI nanosheets (BiOBr/BiOI) is developed by a one-pot microwave-assisted synthesis to achieve in situ H O production and activation for efficient photocatalytic wastewater treatment.

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Article Synopsis
  • Defect engineering helps control heat movement in thin materials like SiC and GeC.
  • When tiny holes (vacancies) are added, the strength of these materials gets weaker, but different types of holes can change how they respond to stress.
  • The way heat travels in SiC and GeC is affected by these tiny holes and boundaries, and certain angles of these boundaries can make them conduct heat really well.
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Designing Efficient Single-Atom Alloy Catalysts for Selective C═O Hydrogenation: A First-Principles, Active Learning and Microkinetic Study.

ACS Appl Mater Interfaces

December 2023

Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of Singapore.

Selective hydrogenation of α,β-unsaturated aldehydes into unsaturated alcohols is a process in high demand in organic synthesis, pharmaceuticals, and food production. This process requires the precise hydrogenation of C═O bonds, a challenge that requires a tailored catalyst. Single-atom alloys (SAAs), where individual atoms of one metal are distributed in a host metal matrix, offer a potential solution to this challenge.

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A coupled oxygen evolution mechanism (COM) during oxygen evolution reaction (OER) has been reported in nickel oxyhydroxides (NiOOH)-based materials by realizing e band (3d electron states with e symmetry) broadening and light irradiation. However, the link between the e band broadening extent and COM-based OER activities remains unclear. Here, NiFeOOH (x = 0, 0.

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Electrocatalytic nitrate (NO)/nitrite (NO) reduction reaction (eNORR) to ammonia under ambient conditions presents a green and promising alternative to the Haber-Bosch process. Practically available NO sources, such as wastewater or plasma-enabled nitrogen oxidation reaction (p-NOR), typically have low NO concentrations. Hence, electrocatalyst engineering is important for practical eNORR to obtain both high NH Faradaic efficiency (FE) and high yield rate.

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We study the Hamiltonian dynamics of a many-body quantum system subjected to periodic projective measurements, which leads to probabilistic cellular automata dynamics. Given a sequence of measured values, we characterize their dynamics by performing a principal component analysis (PCA). The number of principal components required for an almost complete description of the system, which is a measure of complexity we refer to as PCA complexity, is studied as a function of the Hamiltonian parameters and measurement intervals.

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Room-temperature super-elongation in high-entropy alloy nanopillars.

Nat Commun

November 2023

Centre for Advanced Mechanics and Materials, Applied Mechanics Laboratory, Department of Engineering Mechanics, Tsinghua University, Beijing, 100084, China.

Nanoscale small-volume metallic materials typically exhibit high strengths but often suffer from a lack of tensile ductility due to undesirable premature failure. Here, we report unusual room-temperature uniform elongation up to ~110% at a high flow stress of 0.6-1.

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Glaucoma is a slowly progressing optic neuropathy that may eventually lead to blindness. To help patients receive customized treatment, predicting how quickly the disease will progress is important. Structural assessment using optical coherence tomography (OCT) can be used to visualize glaucomatous optic nerve and retinal damage, while functional visual field (VF) tests can be used to measure the extent of vision loss.

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Recent advances in sonic black hole (SBH) provide new opportunities for controlling sound waves and designing wave manipulation devices. SBH is a device that consists of partitions with gradually decreasing inner radii inserted into an acoustic duct. Several studies have reported that SBH can achieve a broadband sound absorption coefficient close to 1, avoiding the issue of alternating high and low absorption coefficients observed in traditional sound absorbers.

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Assessment of angle closure disease in the age of artificial intelligence: A review.

Prog Retin Eye Res

January 2024

Singapore Eye Research Institute, Singapore National Eye Centre, 20 College Road, 169856, Singapore; Department of Ophthalmology, Yong Loo Lin School of Medicine, National University of Singapore, 21 Lower Kent Ridge Road, 119077, Singapore; Ophthalmology & Visual Sciences Academic Clinical Programme, Academic Medicine, Duke-NUS Medical School, 8 College Road, 169857, Singapore; Centre for Innovation and Precision Eye Health, Yong Loo Lin School of Medicine, National University of Singapore, 1E Kent Ridge Road, NUHS Tower Block, Level 7, 119228, Singapore. Electronic address:

Primary angle closure glaucoma is a visually debilitating disease that is under-detected worldwide. Many of the challenges in managing primary angle closure disease (PACD) are related to the lack of convenient and precise tools for clinic-based disease assessment and monitoring. Artificial intelligence (AI)- assisted tools to detect and assess PACD have proliferated in recent years with encouraging results.

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Advances in nanoscale additive manufacturing (AM) offer great opportunities to expand nanotechnologies; however, the size effects in these printed remain largely unexplored. Using bothnanomechanical and electrical experiments and molecular dynamics (MD) simulations, this study investigates additively manufactured nano-architected nanocrystalline ZnO (nc-ZnO) with ∼7 nm grains and dimensions spanning 0.25-4m.

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In metallurgy, mechanical deformation is essential to engineer the microstructure of metals and to tailor their mechanical properties. However, this practice is inapplicable to near-net-shape metal parts produced by additive manufacturing (AM), since it would irremediably compromise their carefully designed geometries. In this work, we show how to circumvent this limitation by controlling the dislocation density and thermal stability of a steel alloy produced by laser powder bed fusion (LPBF) technology.

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Skin-Attachable Ink-Dispenser-Printed Paper Fluidic Sensor Patch for Colorimetric Sweat Analysis.

Adv Healthc Mater

January 2024

Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Innovis #08-03, Singapore, 138634, Republic of Singapore.

Article Synopsis
  • A skin-attachable paper fluidic patch is developed for real-time monitoring of sweat biomarkers like pH, glucose, lactate, and uric acid while also measuring sweat rate, which is key for health and thermoregulation.
  • The sensor utilizes a specially crafted ceramic-based ink that creates durable, high-resolution patterns for accurate sweat analysis, preventing leaks and maintaining stability during use.
  • This innovative wearable technology allows for noninvasive health monitoring and can be easily analyzed using a smartphone camera, catering to a growing demand for personal health insights.
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Heart failure is a global health concern with significant implications for healthcare systems. Left ventricular assist devices (LVADs) provide mechanical support for patients with severe heart failure. However, the placement of the LVAD outflow graft within the aorta has substantial implications for hemodynamics and can lead to aortic insufficiency during long-term support.

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Regioselective C-H alkynylation of arenes C-H activation is challenging yet a highly desirable transformation. In this regard, directing group assisted C(sp)-H alkynylation of arenes offers a unique opportunity to ensure precise regioselectivity. While the existing methods are mainly centered around -C-H alkynylation and a few for -C-H alkynylation, the DG-assisted -selective C-H alkynylation is yet to be reported.

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High-Performance Hydrogen Evolution Reaction Catalysts in Two-Dimensional Nodal Line Semimetals.

ACS Appl Mater Interfaces

October 2023

State Key Laboratory of Reliability and Intelligence of Electrical Equipment, School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130, China.

The discipline of topological quantum catalysts (TQCs) is developing due to the emergence of exotic quantum materials and their corresponding catalysts. Although a series of 3D TQCs with different topological signatures are proposed, the emergence of 2D TQCs in 2D topological semimetals is still rarely touched by others. As a typical example, we proposed that the 2D nodal line semimetal CuSi monolayer is a superior TQC for hydrogen evolution reaction (HER).

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Uncertainty-inspired open set learning for retinal anomaly identification.

Nat Commun

October 2023

Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore, 138632, Republic of Singapore.

Failure to recognize samples from the classes unseen during training is a major limitation of artificial intelligence in the real-world implementation for recognition and classification of retinal anomalies. We establish an uncertainty-inspired open set (UIOS) model, which is trained with fundus images of 9 retinal conditions. Besides assessing the probability of each category, UIOS also calculates an uncertainty score to express its confidence.

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Article Synopsis
  • - The study aimed to create and validate a deep learning algorithm to automate the annotation of the scleral spur and segmentation of anterior chamber structures in OCT scans, enhancing measurement accuracy for eye parameters.
  • - It utilized data from multiple studies on angle-closure disease and employed advanced imaging techniques and specialized neural networks to improve the precision of automated measurements compared to manual methods.
  • - Results showed high reliability, with the algorithm achieving a low error rate for scleral spur annotation and excellent similarity in structure segmentation, indicating that automated measurements were closely aligned with those made by human experts.
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Cold drawing, a well-established processing technique in the polymer industry, was recently revisited and discovered as an efficient material structuring method to create ordered patterns in composites consisting of both cold-drawable polymers and brittle target materials. Such a high-yield and low-cost manufacturing technique enables the large-scale fabrication of micro-ribbon structures for a wide range of functional materials, including two-dimensional (2D) layered materials. Compared to the abundant phenomenological results from experiments, however, the underlying mechanisms of this technique are not fully explored.

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Achieving highly reversible zinc metal anode via surface termination chemistry.

Sci Bull (Beijing)

December 2023

Department of Materials Science and Engineering, National University of Singapore, Singapore 117574, Singapore; Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research (A*Star), Singapore 138634, Singapore. Electronic address:

An oxidation layer on a Zn surface is considered to play a negative role in hindering the practical applications of aqueous zinc ion batteries (AZBs). Herein, we demonstrate the importance of Zn-surface termination on the overall electrochemical behavior of AZBs by revisiting the well-known bottleneck issues. Experimental characterizations in conjugation with theoretical calculations reveal that the formation of a dense Zn(OH)SO·xHO (ZSH) layer from the well-designed surface-oxide termination layer improves the interface stability of the Zn anode and reduces the dehydration energy of Zn(HO), thereby accelerating the interface transport kinetics of Zn.

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Addiction medicine is a rapidly growing field with many young professionals seeking careers in this field. However, early-career professionals (ECPs) face challenges such as a lack of competency-based training due to a shortage of trainers, limited resources, limited mentorship opportunities, and establishment of suitable research areas. The International Society of Addiction Medicine (ISAM) New Professionals Exploration, Training & Education (NExT) committee, a global platform for early-career addiction medicine professionals (ECAMPs), conducted a two-phase online survey using a modified Delphi-based approach among ECAMPs across 56 countries to assess the need for standardized training, research opportunities, and mentorship.

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Sublimation-based wafer-scale monolayer WS formation self-limited thinning of few-layer WS.

Nanoscale Horiz

December 2023

Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Innovis #08-03, Singapore 138634, Republic of Singapore.

Atomically-thin monolayer WS is a promising channel material for next-generation Moore's nanoelectronics owing to its high theoretical room temperature electron mobility and immunity to short channel effect. The high photoluminescence (PL) quantum yield of the monolayer WS also makes it highly promising for future high-performance optoelectronics. However, the difficulty in strictly growing monolayer WS, due to its non-self-limiting growth mechanism, may hinder its industrial development because of the uncontrollable growth kinetics in attaining the high uniformity in thickness and property on the wafer-scale.

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Consistent representation via contrastive learning for skin lesion diagnosis.

Comput Methods Programs Biomed

December 2023

Institute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Singapore 138632, Singapore. Electronic address:

Background: Skin lesions are a prevalent ailment, with melanoma emerging as a particularly perilous variant. Encouragingly, artificial intelligence displays promising potential in early detection, yet its integration within clinical contexts, particularly involving multi-modal data, presents challenges. While multi-modal approaches enhance diagnostic efficacy, the influence of modal bias is often disregarded.

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Ideal plasticity and shape memory of nanolamellar high-entropy alloys.

Sci Adv

October 2023

Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of Singapore.

Understanding the relationship among elemental compositions, nanolamellar microstructures, and mechanical properties enables the rational design of high-entropy alloys (HEAs). Here, we construct nanolamellar AlCoCuFeNi HEAs with alternating high- and low-Al concentration layers and explore their mechanical properties using a combination of molecular dynamic simulation and density functional theory calculation. Our results show that the HEAs with nanolamellar structures exhibit ideal plastic behavior during uniaxial tensile loading, a feature not observed in homogeneous HEAs.

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