Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii

Ghosh, Dulal C.; Biswas, Raka

doi:10.3390/i3020087

Cited by 185 publications

(87 citation statements)

References 34 publications

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“…The calculated atomic radius is 248 pm for Ti whereas it is 320 pm for Nb and 306 pm for Mo. At the contrary, the atomic radii of Al and V are smaller, respectively 118 pm for Al and 171 pm for V [30] . It has been shown that a decrease of Young's modulus is associated with the presence of substitutional atoms with larger atomic radius in the Ti lattice.…”

Section: Mechanical Characterizationmentioning

confidence: 93%

Mechanical Characterization of Ti–12mo–13nb Alloy for Biomedical Application Hot Swaged and Aged

et al. 2015

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Beta titanium alloys were developed for biomedical applications due to the combination of its mechanical properties including low elasticity modulus, high strength, fatigue resistance, good ductility and with excellent corrosion resistance. With this perspective a metastable beta titanium alloy Ti-12Mo-13Nb was developed with the replacement of both vanadium and aluminum from the traditional alloy Ti-6Al-4V. This paper presents the microstructure, mechanical properties of the Ti12Mo-13Nb hot swaged and aged at 500 o C for 24 h under high vacuum and then water quenched. The alloy structure was characterized by X-ray diffraction and transmission electron microscopy. Tensile tests were carried out at room temperature. The results show a microstructure consisting of a fine dispersed α phase in a β matrix and good mechanical properties including low elastic modulus. The results indicate that Ti-12Mo-13Nb alloy can be a promising alternative for biomedical application.

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Section: Mechanical Characterizationmentioning

confidence: 93%

Mechanical Characterization of Ti–12mo–13nb Alloy for Biomedical Application Hot Swaged and Aged

et al. 2015

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“…The appropriate wave number ( ) values for different elements are taken from reference [54] and are presented in Table 1. Furthermore, we have used the effective nuclear charge, Z eff published by Atomic Radii(au), Ghosh et al, radii(au), Desclaux`s radii(au) Ghosh and Biswas [3] and the effective principal quantum number, n* for n=1 to 6 published by Slater [17]. In case of n=7, we have used the n* value suggested by Ghosh and Biswas [3].…”

Section: Spectroscopic Methods Of Determina-tion Of Ionization Potentimentioning

confidence: 99%

“…The history of determination of atomic size is quite old and a good number of theoretical algorithms, of both semiempirical and non-empirical nature, are suggested to evaluate the sizes of atoms and ions [3,[5][6][7][8][9][10]. The relation between the atomic radius (volume) and the ionization potential has been investigated by a number of doyens of science from as early as 1920 [5][6][7][8][9][10].…”

Section: The Relation Between the Atomic Radius And The Ionization Pomentioning

confidence: 99%

“…The right size of ions and atoms are of paramount importance in modeling and understanding bio-chemical processes. Furthermore, atomic radii are associated with physico-chemical properties such as electronegativity [2], global hardness [3,4], ionization energy [5][6][7][8][9][10], polarizability [3], diamagnetic susceptibility [3], capacitance [11], electrophilicity index [12] etc. Thus the concept of 'atomic radius' is the edifice of the conceptual construct of physics and chemistry.…”

Section: Introductionmentioning

confidence: 99%

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Spectroscopic Evaluation of the Atomic Size

Islam¹

2011

TOSPECJ

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Abstract:A new algorithm for evaluating the atomic size is suggested by entailing the atomic spectroscopic data-the wave number. The basic tenet of the present method is (i) to convert a multi-electron atom system to a hydrogenic atom to invoke the Bohr model for the mechanism of electron transition, and (ii) to use the experimental atomic spectroscopic data of multi electron systems to determine the atomic radii. The estimated set of size data appears to satisfy the entire 'sine qua non' of sizes of atoms of the periodic table. Relativistic effect appears to have been significantly included in the suggested algorithm for evaluating the atomic radii. The express periodicity of periods and groups of periodic table exhibited by the computed atomic radii, d and f block contraction and the manifestation of the relativistic effect in the sizes of lanthanoids and actinoids etc speak volume of the efficacy of the present method in computing atomic size. Furthermore, as a validity test, the size data evaluated in the present work have been exploited to calculate some physical descriptors of the real world like equilibrium inter nuclear distances of a good number of hetero nuclear diatomics. We have noted the surprisingly close agreement between the theoretical and the experimental equilibrium inter-nuclear distances.

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“…For most targets the results of calculations for two or three different values of R 0 are given in order to illustrate how the output of present calculations changes with the size of rigid sphere. For comparison purposes, Table 1 contains also the positions of principal maxima in the radial distributions of outermost orbitals for atomic targets as given by different sources [31][32][33][34]. Additionally, some estimates of sizes for molecular targets are also included in Table 1.…”

Section: Resultsmentioning

confidence: 99%

A rigid sphere approach to positron elastic scattering by noble gases, molecular hydrogen, nitrogen and methane

Fedus

2016

Eur. Phys. J. D

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Abstract.A simple potential model of a rigid sphere combined with an adiabatic dipole polarization (∼r −4 ) is tested for positron-atom and positron-molecule elastic collisions. The numerical model, which is based on the analytical solution of radial Schrödinger equation for r −4 potential, depends solely upon the average dipole polarizability of the target and one adjustable parameter -the radius of a hard core. The validity of model is assessed by an extensive comparative study against numerous experimental cross-sections and theoretical phase-shifts of angular momentum partial waves for positrons scattered elastically by He, Ne, Ar, Kr, Xe, H2, N2 and CH4. In particular it is shown that this very simple approach can be used to model positron elastic collisions with targets characterized by moderate dipole polarizabilities (Ar, Kr, H2, N2) in good agreement with experiments for impact energies covering almost entire range from the positronium formation threshold down to the zero energy.

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Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii

Cited by 185 publications

References 34 publications

Mechanical Characterization of Ti–12mo–13nb Alloy for Biomedical Application Hot Swaged and Aged

Mechanical Characterization of Ti–12mo–13nb Alloy for Biomedical Application Hot Swaged and Aged

Spectroscopic Evaluation of the Atomic Size

A rigid sphere approach to positron elastic scattering by noble gases, molecular hydrogen, nitrogen and methane

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