2017
DOI: 10.1007/s11182-017-1023-9
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First-Principles Study of the Elastic Properties of Nitrates

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Cited by 4 publications
(8 citation statements)
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“…In addition to ensuring that the results are converged with respect to the size of the simulation cell, it is also necessary to correct for polarisation effects and for the electrostatic potential generated at the site of the ion in a manner consistent with the assumptions that underly the tabulations we wish to compare with. Such issues have been discussed by various authors [44][45][46][47] who have reached apparently different conclusions. We consider this matter in the next section.…”
Section: Simulation Of Solution Propertiesmentioning
confidence: 99%
“…In addition to ensuring that the results are converged with respect to the size of the simulation cell, it is also necessary to correct for polarisation effects and for the electrostatic potential generated at the site of the ion in a manner consistent with the assumptions that underly the tabulations we wish to compare with. Such issues have been discussed by various authors [44][45][46][47] who have reached apparently different conclusions. We consider this matter in the next section.…”
Section: Simulation Of Solution Propertiesmentioning
confidence: 99%
“…Moreover, high thermal conductivity plays a significant role in the design and manufacture of electrical devices. Materials with poor thermal conductivity, on the other hand, show promise as potential candidates for use in thermal barrier coatings [13]. Low sound velocity materials typically have low lattice thermal conductivity [14].…”
Section: Introductionmentioning
confidence: 99%
“…Low sound velocity materials typically have low lattice thermal conductivity [14]. Using acoustic (ultrasonic) techniques, Previous studies have conducted experimental measurements on the elastic constants of alkali metal nitrates [13,15,16]. However, the literature lacks theoretical insight of the elastic properties of doped NaNO 3 .…”
Section: Introductionmentioning
confidence: 99%
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