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Molecular dynamics simulation study of the melting of Pd-Pt nanoclusters
Bimetallic nanoclusters are of interest because of their utility in catalysis and sensors. The thermal characteristics of bimetallic Pt-Pd nanoclusters of different sizes and compositions wereExpand
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Macroscale superlubricity enabled by graphene nanoscroll formation
Slip sliding away Many applications would benefit from ultralow friction conditions to minimize wear on the moving parts such as in hard drives or engines. On the very small scale, ultralow frictionExpand
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Machine learning coarse grained models for water
An accurate and computationally efficient molecular level description of mesoscopic behavior of ice-water systems remains a major challenge. Expand
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Towards accurate prediction of catalytic activity in IrO2 nanoclusters via first principles-based variable charge force field
IrO2 is one of the most efficient electrocatalysts for the oxygen evolution reaction (OER), and also has other applications such as in pH sensors. Atomistic modeling of IrO2 is critical forExpand
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Design of efficient focused surface acoustic wave devices for potential microfluidic applications
Focused interdigital transducers (F-IDTs) patterned on surfaces of piezoelectric substrates can be used to generate surface acoustic waves (SAW) with high intensity and high beam-width compressionExpand
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Molecular dynamics simulation study of the melting and structural evolution of bimetallic Pd-Pt nanowires
Thermal characteristics of $\mathrm{Pd}\text{\ensuremath{-}}\mathrm{Pt}$ metal nanowires with diameters ranging from 2.3 to $3.5\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ and of several compositionsExpand
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Enhancing effects of microcavities on shear-horizontal surface acoustic wave sensors: A finite element simulation study
Shear-horizontal surface acoustic wave (SAW) sensors with microcavities in the delay paths of 36° YX-LiTaO3 substrate were studied using finite element methods. Microcavities of square cross sectionsExpand
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Extraordinary Macroscale Wear Resistance of One Atom Thick Graphene Layer
During the last few years, graphene's unusual friction and wear properties have been demonstrated at nano to micro scales but its industrial tribological potential has not been fully realized. TheExpand
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Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures.
We introduce a bond order potential (BOP) for stanene based on an ab initio derived training data set. The potential is optimized to accurately describe the energetics, as well as thermal andExpand
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Self-Improving Anode for Lithium-Ion Batteries Based on Amorphous to Cubic Phase Transition in TiO2 Nanotubes
We report an electrochemically driven transformation of amorphous TiO2 nanotubes for Li-ion battery anodes into a face-centered-cubic crystalline phase that self-improves as the cycling proceeds. TheExpand
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