Search Results - "Nair, Arun"

Adsorption and Diffusion of Carbon Dioxide, Methane, and Their Mixture in Carbon Nanotubes in the Presence of Water by Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…Molecular simulations were performed to investigate the adsorption and diffusion properties of methane and carbon dioxide in carbon nanotubes (CNTs) with…”
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Molecular Dynamics Simulation Study of Carbon Dioxide, Methane, and Their Mixture in the Presence of Brine by Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…We perform molecular dynamics simulation study of CO2, methane, and their mixture in the presence of brine over a broad range of temperature (311–473 K),…”
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Adsorption of carbon dioxide, methane, and their mixture by montmorillonite in the presence of water by Kadoura, Ahmad, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…Using grand canonical Monte Carlo (GCMC) simulations, we study the adsorption behavior of CH4, CO2, and their mixture at 298.15 K and pressures up to 50 bar in…”
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Molecular mechanics of mineralized collagen fibrils in bone by Nair, Arun K., Gautieri, Alfonso, Chang, Shu-Wei, Buehler, Markus J.

“…Bone is a natural composite of collagen protein and the mineral hydroxyapatite. The structure of bone is known to be important to its load-bearing…”
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Molecular Dynamics Simulations of Carbon Dioxide, Methane, and Their Mixture in Montmorillonite Clay Hydrates by Kadoura, Ahmad, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…Molecular dynamics simulations were carried out to study the structural and transport properties of carbon dioxide, methane, and their mixture at 298.15 K in…”
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Adsorption and Diffusion of Methane and Carbon Dioxide in Amorphous Regions of Cross-Linked Polyethylene: A Molecular Simulation Study by Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…We perform Monte Carlo (MC) and molecular dynamics (MD) simulations to study the adsorption and diffusion properties of methane and CO2 in cross-linked…”
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Sorption and Diffusion of Methane, Carbon Dioxide, and Their Mixture in Amorphous Polyethylene at High Pressures and Temperatures by Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…Molecular dynamics (MD) simulations are performed to study the sorption and transport properties of CH4 and CO2 in amorphous polyethylene at temperatures from…”
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Sorption and Diffusion of Methane and Carbon Dioxide in Amorphous Poly(alkyl acrylates): A Molecular Simulation Study by Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…Molecular simulations were carried out to understand the structural features and the sorption and diffusion behavior of methane and carbon dioxide in amorphous…”
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Predicting ultrasound wave stimulated bone growth in bioinspired scaffolds using machine learning by Fielder, Marco, Nair, Arun K.

“…For conditions like osteoporosis, changes in bone pore geometry even when porosity is constant have been shown to correlate to increased fracture risk using…”
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Predicting neurite extension for varying extracellular matrix stiffness and topography by Yasodharababu, Mohan, Nair, Arun K.

“…Neurite extension is a dynamic process and is dependent on the microenvironment. The mechanical properties of the extracellular matrix (ECM), such as stiffness…”
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Molecular Simulation Study of Montmorillonite in Contact with Water by Li, Yiteng, Narayanan Nair, Arun Kumar, Kadoura, Ahmad, Yang, Yafan, Sun, Shuyu

“…Grand canonical Monte Carlo and molecular dynamics simulations were applied to understand the molecular mechanism of ion and water transport in montmorillonite…”
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Effects of hydration and mineralization on the deformation mechanisms of collagen fibrils in bone at the nanoscale by Fielder, Marco, Nair, Arun K.

“…Bone is a biomaterial with a structural load-bearing function. Investigating the biomechanics of bone at the nanoscale is important in application to tissue…”
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Molecular Simulation Study of Montmorillonite in Contact with Ethanol by Cui, Ronghao, Narayanan Nair, Arun Kumar, Yang, Yafan, Sun, Shuyu

“…Molecular simulations were performed to explore the adsorption and transport mechanism of ethanol and ions in Na– and Ca–montmorillonite clays. Our results…”
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Bone tissue growth in ultrasonically stimulated bioinspired scaffolds by Fielder, Marco, Nair, Arun K.

“…We develop computational models of bone growth in ultrasonically stimulated porous tissue scaffolds with uniform square pores and a bioinspired structure…”
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Adsorption of Gases on Fullerene-like X12Y12 (X = Be, Mg, Ca, B, Al, Ga, C; Y = C, Si, N, P, O) Nanocages by Geetha Sadasivan Nair, Remya, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…Density functional theory calculations are carried out to investigate the adsorption behaviors of CO2, NO, CO, and NH3 on 12 fullerene-like X12Y12 (B12N12,…”
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Molecular Simulation Study of Montmorillonite in Contact with Variably Wet Supercritical Carbon Dioxide by Kadoura, Ahmad, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…We perform grand canonical Monte Carlo simulations to study the detailed molecular mechanism of intercalation behavior of CO2 in Na-, Ca-, and…”
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Effects of scattering on ultrasound wave transmission through bioinspired scaffolds by Fielder, Marco, Nair, Arun K.

“…Enhancing tissue growth in scaffolds using ultrasound waves while maintaining the structural integrity of the scaffolds is a challenging problem. Previous…”
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Density functional theory study of doped coronene and circumcoronene as anode materials in lithium-ion batteries by Geetha Sadasivan Nair, Remya, Narayanan Nair, Arun Kumar, Sun, Shuyu

“…Density functional theory calculations are carried out to investigate the adsorption properties of Li + and Li on twenty-four adsorbents obtained by…”
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The location of cationic substitutions in carbonated biomimetic apatites significantly affects crystal nanomechanics by Wong, Stephanie, Eaton, Abigail, Krywka, Christina, Nair, Arun, Deymier, Alix

“…Bone and teeth are comprised of carbonate-substituted apatites with cationic substitutions, like sodium and potassium. Cations substitute for calcium in the…”
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Intersecting sex-related inequalities in self-reported testing for and prevalence of Non-Communicable Disease (NCD) risk factors in Kerala by Negi, Jyotsna, Sankar D, Hari, Nair, Arun B, Nambiar, Devaki

“…Non-Communicable Diseases (NCDs) are among India's top burdens, particularly in states like Kerala, which is at an advanced stage of the epidemiological…”
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