Multi Functional Titanium Alloy ''GUM METAL''

Saito, Takashi; Furuta, Tadahiko; Hwang, Jung Hwan; Kuramoto, Shigeru; Nishino, Koichiro; Suzuki, Nobuaki; Chen, Rong; Yamada, Akira; Ito, Kodai; Seno, Yoshiki; Nonaka, Takamasa; Ikehata, Hideaki; Nagasako, Naoyuki; Iwamoto, Chihiro; Ikuhara, Yuichi; Sakuma, Taketo

doi:10.4028/www.scientific.net/msf.426-432.681

Cited by 73 publications

(78 citation statements)

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“…14,15 There are other methods to determine the DOS experimentally, especially electron and x-ray spectroscopic methods, [16][17][18] and theoretical ab initio calculations can be used too. [19][20][21][22] A detailed knowledge of the DOS is especially interesting for EC materials, since the coloration in the visible wavelength region involves electron excitations between filled and empty states by, for example, an intervalence charge transfer mechanism. 23 The accuracy of the methods for determining D and the DOS may be severely limited in the presence of side reactions.…”

Section: Introductionmentioning

confidence: 99%

Determination of solid phase chemical diffusion coefficient and density of states by electrochemical methods: Application to iridium oxide-based thin films

Backholm

Georén

Niklasson

2008

Journal of Applied Physics

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Potentiostatic intermittent titration technique ͑PITT͒ and electrochemical impedance spectroscopy ͑EIS͒ were investigated as methods to determine solid phase chemical diffusion coefficient ͑D͒ and electronic density of states ͑DOS͒. These techniques were then applied to iridium oxide ͑IrOx͒ and iridium-tantalum oxide ͑IrTaOx͒ thin films prepared by sputter deposition. The experiments, performed in 1M propionic acid between −0.2 and 0.8 V vs Ag/ AgCl, showed effects of interfacial side reactions, whose contribution to the electrochemical response could be identified and corrected for in the case of PITT as well as EIS. It was found that D is strongly underestimated when using PITT with the common Cottrell formalism, which follows from non-negligible interfacial charge transfer and Ohmic resistances. EIS indicated an anomalous diffusion mechanism, and D was determined to be in the 10 −11 -10 −10 cm 2 / s range for IrOx and IrTaOx. Both PITT and EIS showed that the intercalated charge as a function of potential exhibits a shape that resembles the theoretical DOS of crystalline iridium oxide, especially for IrTaOx.

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Section: Introductionmentioning

confidence: 99%

Determination of solid phase chemical diffusion coefficient and density of states by electrochemical methods: Application to iridium oxide-based thin films

Backholm

Georén

Niklasson

2008

Journal of Applied Physics

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“…Multifunctional Tibased "gum metal" alloys with substantial Nb concentrations exhibit remarkable properties and unique deformation behavior. 1 Attempts to increase the operating temperatures, and hence efficiencies, of turbine engines have prompted interest in designing Nb-based superalloys.…”

Section: Introductionmentioning

confidence: 99%

Force-matched embedded-atom method potential for niobium

2010

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Large-scale simulations of plastic deformation and phase transformations in alloys require reliable classical interatomic potentials. We construct an embedded-atom method potential for niobium as the first step in alloy potential development. Optimization of the potential parameters to a well-converged set of density-functional theory ͑DFT͒ forces, energies, and stresses produces a reliable and transferable potential for moleculardynamics simulations. The potential accurately describes properties related to the fitting data and also produces excellent results for quantities outside the fitting range. Structural and elastic properties, defect energetics, and thermal behavior compare well with DFT results and experimental data, e.g., DFT surface energies are reproduced with less than 4% error, generalized stacking-fault energies differ from DFT values by less than 15%, and the melting temperature is within 2% of the experimental value.

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“…The potential of MMM approaches for computational materials design is also great. Such possibility was recently illustrated on a six-component Ti-based alloy, with a composition predetermined by electronic properties, which was shown to exhibit an entirely new twin-and dislocation-free deformation mechanism, leading to 'unexpected new properties, such as high ductility and strength, and Invar and Elinvar behaviour' (Saito et al 2003). Such an alloy would be unlikely to be found by trial and error.…”

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confidence: 99%

Multiscale modelling of nanomechanics and micromechanics: an overview

Ghoniem

Busso

Kioussis

et al. 2003

Philosophical Magazine

138

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Recent advances in analytical and computational modelling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum are reviewed. It is shown that multiscale modelling of materials approaches relies on a systematic reduction in the degrees of freedom on the natural length scales that can be identified in the material. Connections between such scales are currently achieved either by a parametrization or by a 'zoom-out' or 'coarse-graining' procedure. Issues related to the links between the atomistic scale, nanoscale, microscale and macroscale are discussed, and the parameters required for the information to be transferred between one scale and an upper scale are identified. It is also shown that seamless coupling between length scales has not yet been achieved as a result of two main challenges: firstly, the computational complexity of seamlessly coupled simulations via the coarse-graining approach and, secondly, the inherent difficulty in dealing with system evolution stemming from time scaling, which does not permit coarse graining over temporal events. Starting from the Born-Oppenheimer adiabatic approximation, the problem of solving quantum mechanics equations of motion is first reviewed, with successful applications in the mechanics of nanosystems. Atomic simulation methods (e.g. molecular dynamics, Langevin dynamics and the kinetic Monte Carlo method) and their applications at the nanoscale are then discussed. The role played by dislocation dynamics and statistical mechanics methods in understanding microstructure self-organization, heterogeneous plastic deformation, material instabilities and failure phenomena is also discussed.

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Multi Functional Titanium Alloy ''GUM METAL''

Cited by 73 publications

References 0 publications

Determination of solid phase chemical diffusion coefficient and density of states by electrochemical methods: Application to iridium oxide-based thin films

Determination of solid phase chemical diffusion coefficient and density of states by electrochemical methods: Application to iridium oxide-based thin films

Force-matched embedded-atom method potential for niobium

Multiscale modelling of nanomechanics and micromechanics: an overview

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