solvent atom
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2021 ◽  
Vol 11 (13) ◽  
pp. 6231
Author(s):  
Alexander Landa ◽  
John E. Klepeis ◽  
Robert E. Rudd ◽  
Kyle J. Caspersen ◽  
David A. Young

Alloys expand or contract as concentrations change, and the resulting relationship between atomic volume and alloy content is an important property of the solid. While a well-known approximation posits that the atomic volume varies linearly with concentration (Zen’s law), the actual variation is more complicated. Here we use the apparent size of the solute (solvent) atom and the elasticity to derive explicit analytical expressions for the atomic volume of binary solid alloys. Two approximations, continuum and terminal, are proposed. Deviations from Zen’s law are studied for 22 binary alloy systems.


2003 ◽  
Vol 02 (02) ◽  
pp. 129-138
Author(s):  
Ashok Sethia ◽  
Eric R. Bittner ◽  
Fumio Hirata

The behavior of an excess electron in a one, two and three dimensional classical liquid has been studied with the aid of Chandler, Singh and Richardson (CSR) theory [J. Chem. Phys.81, 1975 (1984)]. The size or dispersion of the wavepacket associated with the solvated electron is very sensitive to the interaction between the electron and fluid atoms, and exhibits complicated behavior in its density dependence. The behavior is interpreted in terms of an interplay among four causes: the excluded volume effect due to solvent, the pair attractive interaction between the electron and a solvent atom, the thermal wavelength of the electron (λe), a balance of the attractive interactions from different solvent atoms and the range of repulsive interaction between electron and solvent atom. Electron self-trapping behavior in all the dimensions has been studied for the same solvent-solvent and electron-solvent interaction potential and the results are presented for the same parameter in every dimension to show the comparison between the various dimensions.


1993 ◽  
Vol 98 (4) ◽  
pp. 2941-2946 ◽  
Author(s):  
Y. Hurwitz ◽  
Y. Rudich ◽  
R. Naaman ◽  
R. B. Gerber

1968 ◽  
Vol 2 (10) ◽  
pp. 535-536
Author(s):  
B.D. Sharma ◽  
S.P. Ray
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