Reflection of plane waves in an anisotropic magnetothermoelastic diffusive medium with temperature dependent properties

2019 ◽  
Vol 42 (5) ◽  
pp. 541-558 ◽  
Author(s):  
Kapil Kumar Kalkal ◽  
Suresh Kumar Sheokand ◽  
Sunita Deswal
Keyword(s):  
Plane Waves ◽  
Temperature Dependent ◽  
Diffusive Medium ◽  
Temperature Dependent Properties

scholarly journals Temperature-Dependent Properties of Molten Li2BeF4 Salt Using Ab Initio Molecular Dynamics

ACS Omega ◽  
2021 ◽  
Author(s):  
Khagendra Baral ◽  
Saro San ◽  
Ridwan Sakidja ◽  
Adrien Couet ◽  
Kumar Sridharan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Ab Initio Molecular Dynamics ◽  
Temperature Dependent ◽  
Temperature Dependent Properties

Crystal structure and temperature-dependent properties of Na2H4Ga2GeO8 – a novel gallogermanate

2020 ◽  
Vol 75 (9-10) ◽  
pp. 805-813
Author(s):  
Irma Peschke ◽  
Lars Robben ◽  
Christof Köhler ◽  
Thomas Frauenheim ◽  
Josef-Christian Buhl ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Decomposition Temperature ◽  
Spectroscopic Techniques ◽  
Charge Balance ◽  
Temperature Dependent ◽  
Raman Spectroscopic ◽  
Debye Temperatures ◽  
Diffraction Lattice ◽  
Temperature Dependent Properties ◽  
Balance Structure

AbstractSynthesis, crystal structure and temperature-dependent behavior of Na2H4Ga2GeO8 are reported. This novel gallogermanate crystallizes in space group I41/acd with room-temperature powder diffraction lattice parameters of a = 1298.05(1) pm and c = 870.66(1) pm. The structure consists of MO4 (M = Ga, Ge) tetrahedra in four-ring chains, which are connected by two different (left- and right-handed) helical chains of NaO6 octahedra. Protons coordinating the oxygen atoms of the GaO4 tetrahedra not linked to germanium atoms ensure the charge balance. Structure solution and refinement are based on single crystal X-ray diffraction measurements. Proton positions are estimated using a combined approach of DFT calculations and NMR, FTIR and Raman spectroscopic techniques. The thermal expansion was examined in the range between T = 20(2) K and the compound’s decomposition temperature at 568(5) K, in which no phase transition could be observed, and Debye temperatures of 266(11) and 1566(65) K were determined for the volume expansion.

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