Temperature dependence of the low-frequency vibrational modes in LiNaSO4and LiKSO4

1982 ◽  
Vol 26 (10) ◽  
pp. 5897-5903 ◽  
Author(s):  
Dale Teeters ◽  
Roger Frech
1984 ◽  
Vol 22 (1) ◽  
pp. 1-5 ◽  
Author(s):  
N. Bharateswara Rao ◽  
M. Rangacharyulu ◽  
P. Venkatacharyulu ◽  
D. Premaswarup

2018 ◽  
Author(s):  
Daniel R. Moberg ◽  
Shelby C. Straight ◽  
Francesco Paesani

<div> <div> <div> <p>The temperature dependence of the vibrational sum-frequency generation (vSFG) spectra of the the air/water interface is investigated using many-body molecular dynamics (MB-MD) simulations performed with the MB-pol potential energy function. The total vSFG spectra calculated for different polarization combinations are then analyzed in terms of molecular auto-correlation and cross-correlation contributions. To provide molecular-level insights into interfacial hydrogen-bonding topologies, which give rise to specific spectroscopic features, the vSFG spectra are further investigated by separating contributions associated with water molecules donating 0, 1, or 2 hydrogen bonds to neighboring water molecules. This analysis suggests that the low frequency shoulder of the free OH peak which appears at ∼3600 cm−1 is primarily due to intermolecular couplings between both singly and doubly hydrogen-bonded molecules. </p> </div> </div> </div>


1994 ◽  
Vol 269 (49) ◽  
pp. 31047-31050
Author(s):  
S Jeyarajah ◽  
L M Proniewicz ◽  
H Bronder ◽  
J R Kincaid

Soft Matter ◽  
2021 ◽  
Author(s):  
Brian Tighe ◽  
Karsten Baumgarten

We determine how low frequency vibrational modes control the elastic shear modulus of Mikado networks, a minimal mechanical model for semi-flexible fiber networks. From prior work it is known that...


1978 ◽  
Vol 17 (4) ◽  
pp. 1721-1737 ◽  
Author(s):  
A. Manz ◽  
J. Black ◽  
Kh. Pashaev ◽  
D. L. Mills

2015 ◽  
Vol 12 (6) ◽  
pp. 826-829 ◽  
Author(s):  
Raul Paucar ◽  
YongGu Shim ◽  
Kazuki Wakita ◽  
Oktay Alekperov ◽  
Nazim Mamedov

1978 ◽  
Vol 18 (6) ◽  
pp. 2632-2642 ◽  
Author(s):  
C. Stassis ◽  
J. Zarestky ◽  
D. Arch ◽  
O. D. McMasters ◽  
B. N. Harmon

1978 ◽  
Vol 21 (85) ◽  
pp. 115-122
Author(s):  
J. H. Bilgram ◽  
H. Gränicher

AbstractThe interaction of point detects in ice has been neglected for a long time. Experimental data obtained from dielectric measurements on HF-doped crystals stimulated a new evaluation of the possibility of an interaction between Bjerrum defects and ions. In a previous paper it has been shown that this leads us to assume the existence of aggregates of Bjerrum defects and ions. In this paper these aggregates and Bjerrum defects are used to explain the dielectric properties of ice, especially the temperature dependence of the product of the high and low frequency conductivity σ0σ∞.The interaction of Bjerrum defects and impurity molecules leads to a dependence of the concentration of frenkel pairs on Bjerrum-defect concentration. At HF concentrations above the native Bjerrum-defect concentration the formation of a Frenkel pair is enhanced. This leads to the fast out-diffusion which has been studied in highly doped crystals by means of NMR techniques.


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