Using a self-consistent theoretical method, the coherent dynamics of particles in a coupled liquid of sodium atoms at 423 K have been predicted. The modified microscopic theory for collective dynamics of simple liquids has been applied to compute various dynamical properties of liquid Na: detailed dynamical structure factors, current–current correlation functions, dispersion relation, velocity of sound, and the diffusion coefficient, at a temperature that is fairly above the melting point (323 K) and hence, comprises a classical system of interacting particles whose motions are strongly correlated. The detailed coherent dynamical structure factors, <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="13538_2025_1713_Article_IEq1.gif" Format="GIF" Height="19" Rendition="HTML" Resolution="72" Type="Linedraw" Width="53" /> </InlineMediaObject> <EquationSource Format="TEX">$S(k,\omega )$</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mi>S</mi> <mo stretchy="false">(</mo> <mi>k</mi> <mo>,</mo> <mi>ω</mi> <mo stretchy="false">)</mo> </mrow> </math></EquationSource> </InlineEquation>, and the current–current correlation functions have been evaluated for a huge wave vector, <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="13538_2025_1713_Article_IEq2.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">$\kappa$</EquationSource> <EquationSource Format="MATHML"><math> <mi>κ</mi> </math></EquationSource> </InlineEquation>, range: 2.5 nm−1 ≤ <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="13538_2025_1713_Article_IEq3.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">$\kappa$</EquationSource> <EquationSource Format="MATHML"><math> <mi>κ</mi> </math></EquationSource> </InlineEquation> ≤ 88.0 nm−1 and have further been analysed to deduce the dispersion curve and the velocity of sound in the correlated fluid for the entire range of <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="13538_2025_1713_Article_IEq4.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">$\kappa$</EquationSource> <EquationSource Format="MATHML"><math> <mi>κ</mi> </math></EquationSource> </InlineEquation>. The computed dynamical structure factors and the dispersion curve exhibit typical patterns of variation. The velocity of sound is found to align with the experimental result as <InlineEquation ID="IEq5"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="13538_2025_1713_Article_IEq5.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="13" /> </InlineMediaObject> <EquationSource Format="TEX">$\kappa$</EquationSource> <EquationSource Format="MATHML"><math> <mi>κ</mi> </math></EquationSource> </InlineEquation> approaches zero. The modified microscopic theory, therefore, is an ample approach that makes use of inter-particle interactions to determine the dynamical behaviour of a given fluid. The computed dynamical structure factors are applied with quantum corrections due to the detailed balance condition, which are found to be perceptible for higher <InlineEquation ID="IEq6"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="13538_2025_1713_Article_IEq6.gif" Format="GIF" Height="10" Rendition="HTML" Resolution="72" Type="Linedraw" Width="14" /> </InlineMediaObject> <EquationSource Format="TEX">$\omega$</EquationSource> <EquationSource Format="MATHML"><math> <mi>ω</mi> </math></EquationSource> </InlineEquation> values.

Coherent Dynamics of Liquid Sodium at 423 K

期刊论文
发表日期：

2025年2月17日

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Grima Dhingra

摘要

Using a self-consistent theoretical method, the coherent dynamics of particles in a coupled liquid of sodium atoms at 423 K have been predicted. The modified microscopic theory for collective dynamics of simple liquids has been applied to compute various dynamical properties of liquid Na: detailed dynamical structure factors, current–current correlation functions, dispersion relation, velocity of sound, and the diffusion coefficient, at a temperature that is fairly above the melting point (323 K) and hence, comprises a classical system of interacting particles whose motions are strongly correlated. The detailed coherent dynamical structure factors, $S(k,\omega )$ $S (k, ω)$ , and the current–current correlation functions have been evaluated for a huge wave vector, $\kappa$ $κ$ , range: 2.5 nm⁻¹ ≤ $\kappa$ $κ$ ≤ 88.0 nm⁻¹ and have further been analysed to deduce the dispersion curve and the velocity of sound in the correlated fluid for the entire range of $\kappa$ $κ$ . The computed dynamical structure factors and the dispersion curve exhibit typical patterns of variation. The velocity of sound is found to align with the experimental result as $\kappa$ $κ$ approaches zero. The modified microscopic theory, therefore, is an ample approach that makes use of inter-particle interactions to determine the dynamical behaviour of a given fluid. The computed dynamical structure factors are applied with quantum corrections due to the detailed balance condition, which are found to be perceptible for higher $\omega$ $ω$ values.