Search Results - "Ozawa, Nobuki"
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Molecular-Level Elucidation of a Fracture Process in Slide-Ring Gels via Coarse-Grained Molecular Dynamics Simulations
Published in Macromolecules (22-03-2022)“…Slide-ring (SR) gels with slidable cross-linked cyclic molecules exhibit considerably higher fracture toughness than conventional fixed cross-link (FC) gels…”
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Proposal of a new formation mechanism for hydrogenated diamond-like carbon transfer films: Hydrocarbon-emission-induced transfer
Published in Carbon (New York) (01-12-2019)“…Diamond-like carbon (DLC) is one of the most promising solid lubricants for sliding against other materials, such as steel, alumina, and silicon carbide (SiC)…”
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Atom-by-Atom and Sheet-by-Sheet Chemical Mechanical Polishing of Diamond Assisted by OH Radicals: A Tight-Binding Quantum Chemical Molecular Dynamics Simulation Study
Published in ACS applied materials & interfaces (01-09-2021)“…Ultraflat and damage-free single-crystal diamond is a promising material for use in electronic devices such as field-effect transistors. Diamond surfaces are…”
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Effect of Tribochemical Reaction on Transfer-Film Formation by Poly(tetrafluoroethylene)
Published in Journal of physical chemistry. C (05-06-2014)“…Understanding tribochemical reaction mechanisms is necessary to develop a novel resin material that can easily slide on metallic parts. For this purpose, the…”
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Self-Formed Double Tribolayers Play Collaborative Roles in Achieving Superlow Friction in an Aqueous Environment
Published in Journal of physical chemistry. C (16-04-2020)“…A mechanism to achieve superlow friction in water lubrication is still in the debate because friction is accompanied by complex mechanochemical processes at…”
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Three Tribolayers Self-Generated from SiC Individually Work for Reducing Friction in Different Contact Pressures
Published in Journal of physical chemistry. C (10-02-2022)“…The low friction of silicon carbide (SiC)/water systems is understood to be the result of a self-forming silica-based tribolayer that is produced by…”
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Diamond-like carbon coating under oleic acid lubrication: Evidence for graphene oxide formation in superlow friction
Published in Scientific reports (12-04-2017)“…The achievement of the superlubricity regime, with a friction coefficient below 0.01, is the Holy Grail of many tribological applications, with the potential…”
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Tribochemical reactions and graphitization of diamond-like carbon against alumina give volcano-type temperature dependence of friction coefficients: A tight-binding quantum chemical molecular dynamics simulation
Published in Carbon (New York) (01-07-2018)“…Diamond-like carbon (DLC) is a promising solid lubricant used as a protective coating to reduce friction against alumina. Friction properties of DLC/alumina…”
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Tight-Binding Quantum Chemical Molecular Dynamics Study on the Friction and Wear Processes of Diamond-Like Carbon Coatings: Effect of Tensile Stress
Published in ACS applied materials & interfaces (04-10-2017)“…Diamond-like carbon (DLC) coatings have attracted much attention as an excellent solid lubricant due to their low-friction properties. However, wear is still a…”
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Mechanisms of chemical-reaction-induced tensile deformation of an Fe/Ni/Cr alloy revealed by reactive atomistic simulations
Published in RSC advances (21-02-2023)“…High entropy alloys (HEAs) have demonstrated excellent potential in various applications owing to the unique properties. One of the most critical issues of…”
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Atomistic Mechanisms of Chemical Mechanical Polishing of a Cu Surface in Aqueous H2O2: Tight-Binding Quantum Chemical Molecular Dynamics Simulations
Published in ACS applied materials & interfaces (11-05-2016)“…We applied our original chemical mechanical polishing (CMP) simulator based on the tight-binding quantum chemical molecular dynamics (TB-QCMD) method to…”
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Tribochemical Reaction Dynamics Simulation of Hydrogen on a Diamond-like Carbon Surface Based on Tight-Binding Quantum Chemical Molecular Dynamics
Published in Journal of physical chemistry. C (24-11-2011)“…Diamond-like carbon (DLC) has recently attracted much attention as a solid-state lubricant, because of its resistance to wear, low friction, and low abrasion…”
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13
Chemical Reaction Mechanism of Polytetrafluoroethylene on Aluminum Surface under Friction Condition
Published in Journal of physical chemistry. C (13-03-2014)“…To develop a novel shearing resin material, it is necessary to understand the mechanism of friction-induced chemistry during the friction process. For this…”
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Heterogeneous yielding mechanisms of body centered cubic iron for high resistance to chemical reaction-induced deterioration in supercritical water environments: A reactive molecular dynamics study
Published in Scripta materialia (01-09-2021)“…The atomic-scale yielding mechanisms of body centered cubic (BCC) iron in supercritical water have been an elusive problem that requires understanding the…”
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Transfer-Film Formation Mechanism of Polytetrafluoroethylene: A Computational Chemistry Approach
Published in Journal of physical chemistry. C (23-05-2013)“…A method based on computational chemistry is used to theoretically investigate the mechanism by which a transfer film, which strongly contributes to reducing…”
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Coarse-grained Molecular Dynamics Simulation of the Wear Mechanism of Cyclic Polymer Brushes
Published in Chemistry letters (05-10-2020)“…We investigated the effect of a cyclic chain structure on the wear resistance of polymer brushes via coarse-grained molecular dynamics simulations. Friction…”
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Molecular Dynamics Simulation of Ni Nanoparticles Sintering Process in Ni/YSZ Multi-Nanoparticle System
Published in Journal of physical chemistry. C (16-05-2013)“…We have developed a molecular dynamics (MD) simulation method to investigate the sintering of nickel nanoparticles in the nickel and yttria-stabilized zirconia…”
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Non‐Empirical Law for Nanoscale Atom‐by‐Atom Wear
Published in Advanced science (01-01-2021)“…Wear of contact materials results in energy loss and device failure. Conventionally, wear is described by empirical laws such as the Archard's law; however,…”
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Experimental and Quantum Chemical Approaches to Develop Highly Selective Nanocatalysts for CO2-free Power Circulation
Published in Chemical record (01-10-2016)“…Renewable electricity must be utilized to usefully suppress the atmospheric CO2 concentration and slow the progression of global warming. We have thus proposed…”
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Chemical-Reaction-Induced deformation of Body-Centered cubic iron in supercritical water leading to high risk of cleavage Fracture: A reactive Molecular dynamics study
Published in Computational materials science (01-06-2022)“…[Display omitted] To improve the reliability of BCC iron-based steels in supercritical water, it is crucial to understand the atomic-scale deterioration…”
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