Takeshi Usuki
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View article: Low-frequency Raman spectra of choline chloride-water mixtures
Low-frequency Raman spectra of choline chloride-water mixtures Open
View article: Experimental determination of deviation from spherical electron densities of atoms in cyclohexane molecules in the liquid state
Experimental determination of deviation from spherical electron densities of atoms in cyclohexane molecules in the liquid state Open
Deviation from the spherical electron distribution of atoms in liquid cyclohexane has been determined through the difference interference term between the observed x-ray intermolecular interference term and the sum of the intermolecular pa…
View article: Comparison of intermediate-range order in GeO2 glass: Molecular dynamics using machine-learning interatomic potential vs reverse Monte Carlo fitting to experimental data
Comparison of intermediate-range order in GeO2 glass: Molecular dynamics using machine-learning interatomic potential vs reverse Monte Carlo fitting to experimental data Open
The short-range order and intermediate-range order in GeO2 glass are investigated by molecular dynamics using machine-learning interatomic potential trained on ab initio calculation data and compared with the reverse Monte Carlo fitting of…
View article: Rigidity‐Driven Structural Isomers in the NaCl–Ga<sub>2</sub>S<sub>3</sub> System: Implications for Energy Storage
Rigidity‐Driven Structural Isomers in the NaCl–Ga<sub>2</sub>S<sub>3</sub> System: Implications for Energy Storage Open
Alternative energy sources require the search for innovative materials with promising functionalities. Systems with unusual chemical properties represent an insufficiently explored domain, concealing unexpected features. Using diffraction …
View article: Comparison of intermediate-range order in GeO$_2$ glass: molecular dynamics using machine-learning interatomic potential vs.\ reverse Monte Carlo fitting to experimental data
Comparison of intermediate-range order in GeO$_2$ glass: molecular dynamics using machine-learning interatomic potential vs.\ reverse Monte Carlo fitting to experimental data Open
The short and intermediate-range order in GeO$_2$ glass are investigated by molecular dynamics using machine-learning interatomic potential trained on ab initio calculation data and compared with reverse Monte Carlo fitting of neutron diff…
View article: Gallium Trichloride Fluid: Dimer Dissociation Mechanism, Local Structure, and Atomic Dynamics
Gallium Trichloride Fluid: Dimer Dissociation Mechanism, Local Structure, and Atomic Dynamics Open
Molten gallium trichloride emerges as a promising solvent for oxidative metal recycling. The use of supercritical fluid enhances the performance and kinetics of metal dissolution due to significantly lower viscosity in the reaction media. …
View article: Atomic Structure and Dynamics of Unusual and Wide‐Gap Phase‐Change Chalcogenides: A GeTe<sub>2</sub> Case
Atomic Structure and Dynamics of Unusual and Wide‐Gap Phase‐Change Chalcogenides: A GeTe<sub>2</sub> Case Open
Brain‐inspired computing, reconfigurable optical metamaterials, photonic tensor cores, and many other advanced applications require next‐generation phase‐change materials (PCMs) with better energy efficiency and a wider thermal and spectra…
View article: Local structure of concentrated NaFSA solutions in propylene carbonate studied by X-ray and neutron diffraction methods
Local structure of concentrated NaFSA solutions in propylene carbonate studied by X-ray and neutron diffraction methods Open
The microscopic structure of 10 mol% NaFSA [FSA: bis(fluorosulfonyl)amide]-propylene carbonate (PC) solution has been investigated by means of X-ray and neutron diffraction techniques. The solvation structure of Na+ has been determined fro…
View article: Experimental determination of relationship between intramolecular bond lengths and their stretching vibrational frequencies of <i>N,N</i>-dimethylformamide and acetonitrile molecules in the liquid state
Experimental determination of relationship between intramolecular bond lengths and their stretching vibrational frequencies of <i>N,N</i>-dimethylformamide and acetonitrile molecules in the liquid state Open
Time-of-flight (TOF) neutron diffraction measurements have been carried out on pure liquid deuterated N,N-dimethylformamide (DMF-d7), acetonitrile (AN-d3), and their concentrated LiTFSA solutions to investigate the effect of intermolecular…
View article: Lithium Ion Transport Environment by Molecular Vibrations in Ion‐Conducting Glasses
Lithium Ion Transport Environment by Molecular Vibrations in Ion‐Conducting Glasses Open
Controlling Li ion transport in glasses at atomic and molecular levels is key to realizing all‐solid‐state batteries, a promising technology for electric vehicles. In this context, Li 3 PS 4 glass, a promising solid electrolyte candidate, …
View article: Glassy and liquid Sb<sub>2</sub>S<sub>3</sub>: insight into the structure and dynamics of a promising functional material
Glassy and liquid Sb<sub>2</sub>S<sub>3</sub>: insight into the structure and dynamics of a promising functional material Open
High optical and electric contrast between the SET (crystalline) and RESET (amorphous) logic states is related to the different short and intermediate range order in orthorhombic and vitreous Sb 2 S 3 .
View article: Structural Analysis of Amorphous GeO<sub>2</sub> under High Pressure Using Reverse Monte Carlo Simulations
Structural Analysis of Amorphous GeO<sub>2</sub> under High Pressure Using Reverse Monte Carlo Simulations Open
The structural properties of amorphous GeO$_2$, a prototypical network glass,\nwere investigated under ambient to high pressure using reverse Monte Carlo\nsimulations based on reported structure factors from in situ high-pressure\nneutron …
View article: Transient Mesoscopic Immiscibility, Viscosity Anomaly, and High Internal Pressure at the Semiconductor–Metal Transition in Liquid Ga<sub>2</sub>Te<sub>3</sub>
Transient Mesoscopic Immiscibility, Viscosity Anomaly, and High Internal Pressure at the Semiconductor–Metal Transition in Liquid Ga<sub>2</sub>Te<sub>3</sub> Open
Gallium tellurides appear to be promising phase-change materials (PCMs) of the next generation for brain-inspired computing and reconfigurable optical metasurfaces. They are different from the benchmark PCMs because of sp3 galli…
View article: Structure of molten NaCl and the decay of the pair-correlations
Structure of molten NaCl and the decay of the pair-correlations Open
The structure of molten NaCl is investigated by combining neutron and x-ray diffraction with molecular dynamics simulations that employed interaction potentials with either rigid or polarizable ions. Special attention is paid to the asympt…
View article: Unexpected role of metal halides in a chalcogenide glass network
Unexpected role of metal halides in a chalcogenide glass network Open
Chalcogenide glasses containing light alkali and Group 11 (Cu, Ag) halides MY (Y = Cl, Br, I) exhibit high ionic conductivity while their heavy alkali counterparts show promising properties for optical applications. The structural role of …
View article: Chemically-invariant percolation in silver thioarsenate glasses and two ion-transport regimes over 5 orders of magnitude in Ag content
Chemically-invariant percolation in silver thioarsenate glasses and two ion-transport regimes over 5 orders of magnitude in Ag content Open
View article: Bulk Glassy GeTe<sub>2</sub>: A Missing Member of the Tetrahedral GeX<sub>2</sub> Family and a Precursor for the Next Generation of Phase-Change Materials
Bulk Glassy GeTe<sub>2</sub>: A Missing Member of the Tetrahedral GeX<sub>2</sub> Family and a Precursor for the Next Generation of Phase-Change Materials Open
Vitreous germanium disulfide GeS2 and diselenide GeSe2 belong to canonical chalcogenide glasses extensively studied over the past half century. Their high-temperature orthorhombic polymorphs are congruently melting co…
View article: Unexpected Role of Metal Halides in a Chalcogenide Glass Network
Unexpected Role of Metal Halides in a Chalcogenide Glass Network Open
View article: Controlling oxygen coordination and valence of network forming cations
Controlling oxygen coordination and valence of network forming cations Open
Understanding the structure-property relationship of glass material is still challenging due to a lack of periodicity in disordered materials. Here, we report the properties and atomic structure of vanadium phosphate glasses characterized …
View article: Glassy GaS: transparent and unusually rigid thin films for visible to mid-IR memory applications
Glassy GaS: transparent and unusually rigid thin films for visible to mid-IR memory applications Open
An unusually rigid glassy GaS film obtained by PLD shows an excellent light-induced damage threshold promising for memory applications.
View article: Bent HgI<sub>2</sub> Molecules in the Melt and Sulfide Glasses: Implications for Nonlinear Optics
Bent HgI<sub>2</sub> Molecules in the Melt and Sulfide Glasses: Implications for Nonlinear Optics Open
Nonlinear optical (NLO) crystals are widely used in advanced photonic technologies for second harmonic and difference frequency generation (SHG and DFG, respectively), producing coherent light at frequencies where existing lasers are unava…
View article: CCDC 1816521: Experimental Crystal Structure Determination
CCDC 1816521: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: A new search for the KL→π0νν¯ and KL→π0X0 decays
A new search for the KL→π0νν¯ and KL→π0X0 decays Open
We searched for the CP-violating rare decay of the neutral kaon, KL→π0νν¯, in data from the first 100 hours of physics running in 2013 of the J-PARC KOTO experiment. One candidate event was observed while 0.34±0.16 background events were e…
View article: Mercury Sulfide Dimorphism in Thioarsenate Glasses
Mercury Sulfide Dimorphism in Thioarsenate Glasses Open
Crystals usually exist in several polymorphic forms in different domains of the P,T-diagram. Glasses and liquids also reveal density- or entropy-driven polyamorphism when e.g. an amorphous molecular solid or liquid transforms into a networ…
View article: So-called ‘relaxation’ mode located at 0.1 cm−1 in the low-frequency Raman spectra of ethylene glycol - acetone mixtures
So-called ‘relaxation’ mode located at 0.1 cm−1 in the low-frequency Raman spectra of ethylene glycol - acetone mixtures Open
Low frequency Raman spectra of ethylene glycol(EG) and acetone mixtures are investigated by high-resolution double monochrometer. A broad peak located at 0.1 cm−1 in susceptibility spectra is compared with the dielectric loss spectra. Both…
View article: Local structure of Li+ in concentrated LiPF6–dimethyl carbonate solutions
Local structure of Li+ in concentrated LiPF6–dimethyl carbonate solutions Open
View article: Work Softening Behavior of Zirconium-Aluminum-Nickel-Copper Bulk-Metallic-Glass by Rolling
Work Softening Behavior of Zirconium-Aluminum-Nickel-Copper Bulk-Metallic-Glass by Rolling Open
Recently, “work softening behaviors” of bulk metallic glass (BMG) by shot peening was found. The purpose of this research is to investigate the work softening behavior of BMG by rolling at room temperature. The Vickers hardness of Zr55Al10…